MetFrag,Score,InChI,MonoisotopicMass,CompoundName,Identifier,MolecularFormula,FormulasOfExplPeaks,ExplPeaks,NumberPeaksUsed,NoExplPeaks
1197.3267765170576,1.0,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)",253.966,"2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetic acid",50465,C7H5Cl2FN2O3,90.97445:[C3ClF]+H+;106.94476:[C3Cl2]+H+;115.98965:[C4H4ClNO-H]+;117.9854:[C4H2ClFN]+;133.95592:[C4H2Cl2N]+;143.98846:[C5H2ClFN2]+;144.99625:[C5H2ClFN2]+H+;146.0041:[C5H2ClFN2+H]+H+;151.94641:[C4H2Cl2FN-H]+;160.96668:[C5H2Cl2N2]+H+;163.00682:[C5H2ClFN2O+2H]+H+;172.99055:[C6H4ClFN2O-H]+;178.95724:[C5H2Cl2FN2]+;178.97725:[C5H2Cl2N2O+2H]+H+;180.97293:[C5H2Cl2FN2+H]+H+;196.96778:[C5H2Cl2FN2O+H]+H+;208.9678:[C6H4Cl2FN2O]+;236.96245:[C7H4Cl2FN2O2]+,90.97445_681.0;106.94476_274.0;115.98965_95.0;117.9854_384.0;133.95592_777.0;143.98846_478.0;144.99625_352.0;146.0041_999.0;151.94641_962.0;160.96668_387.0;163.00682_782.0;172.99055_17.0;178.95724_678.0;178.97725_391.0;180.97293_999.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,18
1102.286551077162,0.9206,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-2(14)1-13/h13H,1H2,(H2,11,12)",253.966,"(4-amino-3,5-dichloro-6-fluoro-2-pyridyl) 2-hydroxyacetate",57010914,C7H5Cl2FN2O3,90.97445:[C3ClF]+H+;106.94476:[C3Cl2]+H+;117.9854:[C4H2ClFN]+;133.95592:[C4H2Cl2N]+;143.98846:[C5H2ClFN2]+;144.99625:[C5H2ClFN2]+H+;146.0041:[C5H2ClFN2+H]+H+;151.94641:[C4H2Cl2FN-H]+;160.96668:[C5H2Cl2N2]+H+;163.00682:[C5H2ClFN2O+2H]+H+;178.95724:[C5H2Cl2FN2]+;178.97725:[C5H2Cl2N2O+2H]+H+;180.97293:[C5H2Cl2FN2+H]+H+;196.96778:[C5H2Cl2FN2O+H]+H+;208.9678:[C6H2Cl2FN2O+H]+H+;236.96245:[C7H4Cl2FN2O2]+,90.97445_681.0;106.94476_274.0;117.9854_384.0;133.95592_777.0;143.98846_478.0;144.99625_352.0;146.0041_999.0;151.94641_962.0;160.96668_387.0;163.00682_782.0;178.95724_678.0;178.97725_391.0;180.97293_999.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,16
1066.1257056412528,0.8904,"InChI=1S/C7H5Cl2FN2O3/c8-1-3(11)2(9)6(10)12-4(1)5(13)7(14)15/h5,13H,(H2,11,12)(H,14,15)",253.966,"2-(4-amino-3,5-dichloro-6-fluoro-2-pyridyl)-2-hydroxy-acetic acid",56974741,C7H5Cl2FN2O3,90.97445:[C3ClF]+H+;106.94476:[C3Cl2]+H+;115.98965:[C4H4ClNO-H]+;117.9854:[C4H2ClFN]+;133.95592:[C4H2Cl2N]+;143.98846:[C5H2ClFN2]+;144.99625:[C5H2ClFN2]+H+;146.0041:[C5H2ClFN2+H]+H+;151.94641:[C4H2Cl2FN-H]+;160.96668:[C5H2Cl2N2]+H+;163.00682:[C5H4ClFN2O]+H+;172.99055:[C6H4ClFN2O-H]+;178.95724:[C5H2Cl2FN2]+;178.97725:[C5H3ClFNO3]+;180.97293:[C5H2Cl2FN2+H]+H+;208.9678:[C6H4Cl2FN2O]+;236.96245:[C7H4Cl2FN2O2]+,90.97445_681.0;106.94476_274.0;115.98965_95.0;117.9854_384.0;133.95592_777.0;143.98846_478.0;144.99625_352.0;146.0041_999.0;151.94641_962.0;160.96668_387.0;163.00682_782.0;172.99055_17.0;178.95724_678.0;178.97725_391.0;180.97293_999.0;208.9678_999.0;236.96245_999.0,22,17
980.4249109668227,0.8188,"InChI=1S/C7H5Cl2FN2O3/c1-2(13)14-15-7-4(9)5(11)3(8)6(10)12-7/h1H3,(H2,11,12)",253.966,"(4-amino-3,5-dichloro-6-fluoro-2-pyridyl) peroxyacetate",88419651,C7H5Cl2FN2O3,90.97445:[C3ClF]+H+;106.94476:[C3Cl2]+H+;117.9854:[C4H2ClFN]+;133.95592:[C4H2Cl2N]+;143.98846:[C5H2ClFN2]+;144.99625:[C5H2ClFN2]+H+;146.0041:[C5H2ClFN2+H]+H+;151.94641:[C4H2Cl2FN-H]+;160.96668:[C5H2Cl2N2]+H+;163.00682:[C5H2ClFN2O+2H]+H+;178.95724:[C5H2Cl2FN2]+;178.97725:[C5H2Cl2N2O+2H]+H+;180.97293:[C5H2Cl2FN2+H]+H+;196.96778:[C5H2Cl2FN2O+H]+H+;236.96245:[C7H5Cl2FN2O2-H]+,90.97445_681.0;106.94476_274.0;117.9854_384.0;133.95592_777.0;143.98846_478.0;144.99625_352.0;146.0041_999.0;151.94641_962.0;160.96668_387.0;163.00682_782.0;178.95724_678.0;178.97725_391.0;180.97293_999.0;196.96778_720.0;236.96245_999.0,22,15
924.8200077614094,0.7724,"InChI=1S/C6H11O7PS/c7-5(8)1-4(6(9)10)2-15-3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/p-4",253.965,2-(phosphonatomethylsulfanylmethyl)butanedioate,44290588,C6H11O7PS,143.98846:[C5H5O3S-H]+;144.99625:[C5H5O3S]+;146.0041:[C5H5O3S]+H+;163.00682:[C5H5O4S+H]+H+;178.95724:[C4H5O4PS-H]+;180.97293:[C4H5O4PS]+H+;196.96778:[C4H5O5PS]+H+;208.9678:[C5H7O5PS-H]+;236.96245:[C6H7O6PS-H]+,143.98846_478.0;144.99625_352.0;146.0041_999.0;163.00682_782.0;178.95724_678.0;180.97293_999.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,9
536.9489091850725,0.4485,"InChI=1S/C10H4Cl2N2O2/c11-3-1-4(12)6-5(2-3)13-7-8(14-6)10(16)9(7)15/h1-2,13-14H",253.965,"5,7-dichloro-3,8-dihydrocyclobuta[b]quinoxaline-1,2-dione",23354334,C10H4Cl2N2O2,106.94476:[C3HCl2]+;115.98965:[C4HClNO+H]+H+;124.99015:[C5H2ClN2]+;125.99793:[C5H2ClN2]+H+;133.95592:[C4H2Cl2N]+;160.96668:[C5H3Cl2N2]+;163.00682:[C8H4ClN2]+;178.97725:[C8H3ClNO2-H]+;196.96778:[C8H4Cl2N2-H]+;208.9678:[C9H4Cl2N2-H]+;236.96245:[C10H4Cl2N2O-H]+,106.94476_274.0;115.98965_95.0;124.99015_146.0;125.99793_207.0;133.95592_777.0;160.96668_387.0;163.00682_782.0;178.97725_391.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,11
528.2340031345923,0.4412,"InChI=1S/C10H4Cl2N2O2/c11-3-1-5-6(2-4(3)12)14-8-7(13-5)9(15)10(8)16/h1-2,13-14H",253.965,"5,6-dichloro-3,8-dihydrocyclobuta[b]quinoxaline-1,2-dione",23354285,C10H4Cl2N2O2,106.94476:[C3HCl2]+;124.99015:[C5H4ClN2-2H]+;125.99793:[C5H4ClN2-H]+;133.95592:[C4H2Cl2N]+;160.96668:[C5H3Cl2N2]+;163.00682:[C8H4ClN2]+;178.97725:[C8H2ClNO2]+;196.96778:[C8H4Cl2N2-H]+;208.9678:[C9H4Cl2N2-H]+;236.96245:[C10H4Cl2N2O-H]+,106.94476_274.0;124.99015_146.0;125.99793_207.0;133.95592_777.0;160.96668_387.0;163.00682_782.0;178.97725_391.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,10
527.8983257763078,0.4409,InChI=1S/C10F2O6/c11-5-3-1(7(13)17-9(3)15)2-4(6(5)12)10(16)18-8(2)14,253.966,"4,5-difluorofuro[3,4-e]isobenzofuran-1,3,6,8-tetrone",91143120,C10F2O6,115.98965:[C4FO3]+H+;117.9854:[C4F2O2]+;160.96668:[C8FO3-2H]+;178.97725:[C8FO4]+;180.97293:[C8F2O3-H]+;196.96778:[C8F2O4-H]+;208.9678:[C9F2O4-H]+;236.96245:[C10F2O5-H]+,115.98965_95.0;117.9854_384.0;160.96668_387.0;178.97725_391.0;180.97293_999.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,8
523.4125407455641,0.4372,"InChI=1S/C10H4Cl2N2O2/c11-5-1-4-7(2-6(5)12)13-3-8-9(4)16-10(15)14-8/h1-3H,(H,14,15)",253.965,"7,8-dichloro-3H-oxazolo[4,5-c]quinolin-2-one",22765649,C10H4Cl2N2O2,106.94476:[C3HCl2]+;124.99015:[C5H2ClN2]+;125.99793:[C5H2ClN2]+H+;133.95592:[C4HCl2N]+H+;163.00682:[C8H3ClN2]+H+;172.99055:[C9H3ClN2-H]+;178.97725:[C8H3ClNO2-H]+;196.96778:[C8H3Cl2N2]+;208.9678:[C9H3Cl2N2]+;236.96245:[C10H3Cl2N2O]+,106.94476_274.0;124.99015_146.0;125.99793_207.0;133.95592_777.0;163.00682_782.0;172.99055_17.0;178.97725_391.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,10
510.2610028822334,0.4262,"InChI=1S/C10H4Cl2N2O2/c11-9-6-3-5(4-13)10(14-12)16-8(6)2-1-7(9)15/h1-3,15H",253.965,5-chloro-2-chloroimino-6-hydroxy-chromene-3-carbonitrile,85839980,C10H4Cl2N2O2,115.98965:[C4H2ClNO]+H+;124.99015:[C5HClN2]+H+;125.99793:[C5HClN2+H]+H+;160.96668:[C8H2ClNO-2H]+;163.00682:[C8H3ClN2]+H+;178.97725:[C8H4ClNO2-2H]+;196.96778:[C8H2Cl2N2]+H+;208.9678:[C9H3Cl2N2]+;236.96245:[C10H3Cl2N2O]+,115.98965_95.0;124.99015_146.0;125.99793_207.0;160.96668_387.0;163.00682_782.0;178.97725_391.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,9
510.1871642854935,0.4261,InChI=1S/C10F2O6/c11-5-1-2(8(14)17-7(1)13)6(12)4-3(5)9(15)18-10(4)16,253.966,"4,8-difluorofuro[3,4-f]isobenzofuran-1,3,5,7-tetrone",15457419,C10F2O6,115.98965:[C4FO3]+H+;160.96668:[C8FO3-2H]+;178.97725:[C8FO4]+;180.97293:[C8F2O3-H]+;196.96778:[C8F2O4-H]+;208.9678:[C9F2O4-H]+;236.96245:[C10F2O5-H]+,115.98965_95.0;160.96668_387.0;178.97725_391.0;180.97293_999.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,7
480.9568053636547,0.4017,"InChI=1S/C10H4Cl2N2O2/c11-5-1-2-6(12)8-7(5)9(15)10(16)14(8)4-3-13/h1-2H,4H2",253.965,"2-(4,7-dichloro-2,3-dioxo-indolin-1-yl)acetonitrile",106988815,C10H4Cl2N2O2,124.99015:[C5H3ClN2-H]+;125.99793:[C5H3ClN2]+;163.00682:[C8H4ClN2]+;178.97725:[C8H2ClNO2]+;196.96778:[C8H4Cl2N2-H]+;208.9678:[C9H4Cl2N2-H]+;236.96245:[C10H4Cl2N2O-H]+,124.99015_146.0;125.99793_207.0;163.00682_782.0;178.97725_391.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,7
467.12597934551485,0.3901,"InChI=1S/C5H6N2O6S2/c8-4-1-3(6-5(9)7-4)2-14-13-15(10,11)12/h1H,2H2,(H,10,11,12)(H2,6,7,8,9)",253.967,"(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl hydrogen sulfate",67945017,C5H6N2O6S2,124.93547:[CH2O3S2-H]+;151.94641:[C2H2NO3S2]+;196.96778:[C3H3N2O4S2+H]+H+;208.9678:[C4H4N2O4S2]+H+;236.96245:[C5H5N2O5S2]+,124.93547_613.0;151.94641_962.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,5
457.68078445411237,0.3823,"InChI=1S/C9H9Cl3O2/c10-7(9(11,12)8(13)14)6-4-2-1-3-5-6/h1-5,7-8,13-14H",253.967,"2,2,3-trichloro-3-phenyl-propane-1,1-diol",101967796,C9H9Cl3O2,172.99055:[C8H6Cl2]+H+;196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H6Cl3+H]+H+;236.96245:[C9H8Cl3O]+,172.99055_17.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
449.4861971245099,0.3754,"InChI=1S/C9H9Cl3O2/c10-7-4-2-1-3-5-14-8(13)9(11,12)6-7/h7H,3-6H2",253.967,"3,3,5-trichloro-1-oxacyclodec-7-yn-2-one",15205979,C9H9Cl3O2,106.94476:[C3H3Cl2-2H]+;163.00682:[C7H7Cl2+H]+H+;172.99055:[C8H9Cl2-2H]+;196.96778:[C7H7Cl3]+H+;208.9678:[C8H9Cl3-H]+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;163.00682_782.0;172.99055_17.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,6
448.827242983794,0.3749,"InChI=1S/C9H9Cl3O2/c1-2-3-4-5(10)6(11)7(12)9(14)8(4)13/h13-14H,2-3H2,1H3",253.967,"3,4,5-trichloro-6-propyl-benzene-1,2-diol",17970459,C9H9Cl3O2,106.94476:[C3Cl2]+H+;163.00682:[C7H7Cl2+H]+H+;196.96778:[C7H7Cl3]+H+;208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;163.00682_782.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,5
432.8839128679002,0.3615,"InChI=1S/C9H9Cl3O2/c1-9(2,3)7-5(11)4(10)6(12)8(13)14-7/h1-3H3",253.967,"6-tert-butyl-3,4,5-trichloro-pyran-2-one",12328178,C9H9Cl3O2,106.94476:[C3Cl2]+H+;163.00682:[C7H9Cl2]+;172.99055:[C8H9Cl2-2H]+;196.96778:[C7H6Cl3+H]+H+;208.9678:[C8H9Cl3-H]+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;163.00682_782.0;172.99055_17.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,6
432.5215520915965,0.3612,"InChI=1S/C8H3ClN4O2S/c9-2-1-10-7-4(11-2)3-5(16-7)6(14)13-8(15)12-3/h1H,(H2,12,13,14,15)",253.967,"8-chloro-1H-pyrazino[1,2]thieno[3,4-b]pyrimidine-2,4-dione",88187247,C8H3ClN4O2S,124.99015:[C5HClN2]+H+;125.99793:[C5HClN2+H]+H+;160.96668:[C6HN3OS-2H]+;178.97725:[C6H2N3O2S-H]+;208.9678:[C7H2ClN4S]+;236.96245:[C8H2ClN4OS]+,124.99015_146.0;125.99793_207.0;160.96668_387.0;178.97725_391.0;208.9678_999.0;236.96245_999.0,22,6
426.08747303140956,0.3559,"InChI=1S/C8H9Cl2O3P/c1-13-8-6(10)3-5(9)4-7(8)14(2,11)12/h3-4H,1-2H3,(H,11,12)",253.967,"(3,5-dichloro-2-methoxy-phenyl)-methyl-phosphinic acid",70627295,C8H9Cl2O3P,106.94476:[C3HCl2]+;196.96778:[C6H5Cl2OP+2H]+H+;208.9678:[C7H5Cl2OP+2H]+H+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
416.4189871628133,0.3478,"InChI=1S/C9H9Cl3O2/c1-14-9-6(8(13)4-10)2-5(11)3-7(9)12/h2-3,8,13H,4H2,1H3",253.967,"2-chloro-1-(3,5-dichloro-2-methoxy-phenyl)ethanol",116863556,C9H9Cl3O2,106.94476:[C3HCl2]+;196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
414.9383768821399,0.3466,"InChI=1S/C9H9Cl3O2/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4,13H,5H2,1H3",253.967,[4-methoxy-2-(trichloromethyl)phenyl]methanol,54006996,C9H9Cl3O2,106.94476:[C3HCl2]+;196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
414.9018604802437,0.3465,"InChI=1S/C9H9Cl3O2/c1-14-7-3-2-5(6(13)4-10)8(11)9(7)12/h2-3,6,13H,4H2,1H3",253.967,"2-chloro-1-(2,3-dichloro-4-methoxy-phenyl)ethanol",116863597,C9H9Cl3O2,106.94476:[C3Cl2]+H+;196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
411.76929674731093,0.3439,"InChI=1S/C5H6N2O6S2/c1-5(15(12,13)7-4-9)2-14(10,11)6-3-8/h2,4H,1H3,(H,7,9)",253.967,N-(2-isocyanatosulfonyl-1-methyl-vinyl)sulfonylformamide,56630629,C5H6N2O6S2,196.96778:[C3H4N2O4S2]+H+;208.9678:[C4H5N2O4S2]+;236.96245:[C5H5N2O5S2]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
402.74542709104435,0.3364,"InChI=1S/C9H9Cl3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3",253.967,"2,2,2-trichloro-1-(4-methoxyphenyl)ethanol",5177931,C9H9Cl3O2,196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
402.74542709104435,0.3364,"InChI=1S/C9H9Cl3O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5,8,13H,1H3",253.967,"2,2,2-trichloro-1-(3-methoxyphenyl)ethanol",13434525,C9H9Cl3O2,196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
402.74542709104435,0.3364,"InChI=1S/C9H9Cl3O2/c1-14-7-5-3-2-4-6(7)8(13)9(10,11)12/h2-5,8,13H,1H3/t8-/m0/s1",253.967,"(1S)-2,2,2-trichloro-1-(2-methoxyphenyl)ethanol",102572458,C9H9Cl3O2,196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
402.83400838565046,0.3364,"InChI=1S/C6H7O7PS/c7-14(8,9)13-5-3-1-2-4-6(5)15(10,11)12/h1-4H,(H2,7,8,9)(H,10,11,12)",253.965,2-phosphonooxybenzenesulfonic acid,22253854,C6H7O7PS,143.98846:[C5H5O3S-H]+;144.99625:[C5H5O3S]+;146.0041:[C5H5O3S]+H+;163.00682:[C5H4O4S+2H]+H+;172.99055:[C6H5O4S]+;236.96245:[C6H6O6PS]+,143.98846_478.0;144.99625_352.0;146.0041_999.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,6
402.74542709104435,0.3364,"InChI=1S/C9H9Cl3O2/c1-14-9-3-6(11)5(2-7(9)12)8(13)4-10/h2-3,8,13H,4H2,1H3",253.967,"2-chloro-1-(2,5-dichloro-4-methoxy-phenyl)ethanol",116863557,C9H9Cl3O2,196.96778:[C7H5Cl3+2H]+H+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
402.83400838565046,0.3364,"InChI=1S/C6H7O7PS/c7-14(8,9)13-5-1-3-6(4-2-5)15(10,11)12/h1-4H,(H2,7,8,9)(H,10,11,12)",253.965,4-phosphonooxybenzenesulfonic acid,87263655,C6H7O7PS,143.98846:[C5H5O3S-H]+;144.99625:[C5H5O3S]+;146.0041:[C5H5O3S]+H+;163.00682:[C5H4O4S+2H]+H+;172.99055:[C6H5O4S]+;236.96245:[C6H6O6PS]+,143.98846_478.0;144.99625_352.0;146.0041_999.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,6
378.52724978694437,0.3161,"InChI=1S/C9H9Cl3O2/c1-5-2-3-6(7(13)4-5)8(14)9(10,11)12/h2-4,8,13-14H,1H3",253.967,"5-methyl-2-(2,2,2-trichloro-1-hydroxy-ethyl)phenol",69994244,C9H9Cl3O2,196.96778:[C7H6Cl3+H]+H+;208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
378.52724978694437,0.3161,"InChI=1S/C9H9Cl3O2/c1-5-2-3-7(13)6(4-5)8(14)9(10,11)12/h2-4,8,13-14H,1H3",253.967,"4-methyl-2-(2,2,2-trichloro-1-hydroxy-ethyl)phenol",12516845,C9H9Cl3O2,196.96778:[C7H6Cl3+H]+H+;208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
378.52724978694437,0.3161,"InChI=1S/C9H9Cl3O2/c1-5-2-3-6(4-7(5)13)8(14)9(10,11)12/h2-4,8,13-14H,1H3",253.967,"2-methyl-5-(2,2,2-trichloro-1-hydroxy-ethyl)phenol",69998828,C9H9Cl3O2,196.96778:[C7H6Cl3+H]+H+;208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
374.11439025930036,0.3125,"InChI=1S/C9H9Cl3O2/c1-2-3-4-5(10)8(13)7(12)9(14)6(4)11/h13-14H,2-3H2,1H3",253.967,"2,4,6-trichloro-5-propyl-benzene-1,3-diol",71410051,C9H9Cl3O2,106.94476:[C3Cl2]+H+;163.00682:[C7H7Cl2+H]+H+;208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;163.00682_782.0;208.9678_999.0;236.96245_999.0,22,4
361.8898580880017,0.3022,"InChI=1S/C9H9Cl3O2/c10-9(11,12)6-3-1-4-5(2-3)8(13)14-7(4)6/h3-7H,1-2H2",253.967,NA,263772,C9H9Cl3O2,172.99055:[C8H9Cl2-2H]+;196.96778:[C7H8Cl3]+;208.9678:[C8H9Cl3-H]+;236.96245:[C9H9Cl3O-H]+,172.99055_17.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
355.11687548899965,0.2966,"InChI=1S/C8H9Cl2O3P/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3",253.967,"4-dichlorophosphoryl-1,2-dimethoxy-benzene",20548445,C8H9Cl2O3P,106.94476:[C2HClOP]+;196.96778:[C6H6Cl2OP+H]+H+;208.9678:[C7H6Cl2OP+H]+H+;236.96245:[C8H9Cl2O2P-H]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
355.11687548899965,0.2966,"InChI=1S/C8H9Cl2O3P/c1-12-6-3-4-8(14(9,10)11)7(5-6)13-2/h3-5H,1-2H3",253.967,"1-dichlorophosphoryl-2,4-dimethoxy-benzene",20548444,C8H9Cl2O3P,106.94476:[C2HClOP]+;196.96778:[C6H6Cl2OP+H]+H+;208.9678:[C7H6Cl2OP+H]+H+;236.96245:[C8H9Cl2O2P-H]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
355.11687548899965,0.2966,"InChI=1S/C8H9Cl2O3P/c1-12-6-3-7(13-2)5-8(4-6)14(9,10)11/h3-5H,1-2H3",253.967,"1-dichlorophosphoryl-3,5-dimethoxy-benzene",2784256,C8H9Cl2O3P,106.94476:[C2HClOP]+;196.96778:[C6H6Cl2OP+H]+H+;208.9678:[C7H6Cl2OP+H]+H+;236.96245:[C8H9Cl2O2P-H]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
354.8193889829219,0.2963,"InChI=1S/C9H9Cl3O2/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8,13-14H,1-2H2",253.967,"1-(2,3,5-trichlorophenyl)propane-1,3-diol",57422174,C9H9Cl3O2,106.94476:[C3HCl2]+;208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;208.9678_999.0;236.96245_999.0,22,3
347.4828469259525,0.2902,"InChI=1S/C9H9Cl3O2/c1-5(13)14-6-3-2-4-8(11)7(10)9(6,8)12/h2-3,6-7H,4H2,1H3/t6-,7-,8-,9+/m1/s1",253.967,"[(1R,5R,6S,7R)-1,6,7-trichloro-5-bicyclo[4.1.0]hept-3-enyl] acetate",101673599,C9H9Cl3O2,106.94476:[C3HCl2]+;163.00682:[C7H6Cl2+2H]+H+;196.96778:[C7H6Cl3+H]+H+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;163.00682_782.0;196.96778_720.0;236.96245_999.0,22,4
346.11959144142577,0.2891,"InChI=1S/C5H6N2O6S2/c1-5(15(12,13)7-4-9)2-14(10,11)6-3-8/h5H,2H2,1H3",253.967,"N1,N2-bis(oxomethylene)propane-1,2-disulfonamide",17977825,C5H6N2O6S2,196.96778:[C3H6N2O4S2-H]+;208.9678:[C4H6N2O4S2-H]+;236.96245:[C5H6N2O5S2-H]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
342.5485296000195,0.2861,"InChI=1S/C9H9Cl3O2/c1-8(9(10,11)12)4-3-6(13)7(5-8)14-2/h3-5H,1-2H3",253.967,"2-methoxy-4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one",20257293,C9H9Cl3O2,106.94476:[C3H3Cl2-2H]+;196.96778:[C7H6Cl3+H]+H+;208.9678:[C8H6Cl3+H]+H+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
341.145828911153,0.2849,"InChI=1S/C9H9Cl3O2/c10-9(11,12)8(14,6-13)7-4-2-1-3-5-7/h1-5,13-14H,6H2",253.967,"3,3,3-trichloro-2-phenyl-propane-1,2-diol",90860075,C9H9Cl3O2,208.9678:[C8H5Cl3+2H]+H+;236.96245:[C9H8Cl3O]+,208.9678_999.0;236.96245_999.0,22,2
332.6810576848991,0.2779,"InChI=1S/C9H9Cl3O2/c1-6(13)14-8(9(10,11)12)7-4-2-3-5-7/h2-5,7-8H,1H3/t8-/m0/s1",253.967,"[(1S)-2,2,2-trichloro-1-cyclopenta-2,4-dien-1-yl-ethyl] acetate",101856307,C9H9Cl3O2,163.00682:[C7H6Cl2+2H]+H+;196.96778:[C7H6Cl3+H]+H+;236.96245:[C9H9Cl3O-H]+,163.00682_782.0;196.96778_720.0;236.96245_999.0,22,3
325.3957613354833,0.2718,"InChI=1S/C7H11O2PS3/c11-10(6-1-8-6,7-2-9-7)13-4-5-3-12-5/h5-7H,1-4H2",253.966,bis(oxiran-2-yl)-(thiiran-2-ylmethylsulfanyl)-thioxo-$l^{5}-phosphane,89034569,C7H11O2PS3,196.96778:[C5H8PS3+H]+H+;208.9678:[C6H9PS3]+H+;236.96245:[C7H11OPS3-H]+,196.96778_720.0;208.9678_999.0;236.96245_999.0,22,3
318.14372415907314,0.2657,"InChI=1S/C4H7IN4O/c5-3-4(10)7-1-2-8-9-6/h1-3H2,(H,7,10)",253.966,N-(2-azidoethyl)-2-iodo-acetamide,44155767,C4H7IN4O,196.96778:[C4H6IN+H]+H+;236.96245:[C4H6IN4]+,196.96778_720.0;236.96245_999.0,22,2
315.1850711741123,0.2632,"InChI=1S/C10H4Cl2N2O2/c11-7-3-5-6(4-8(7)12)10(16)14(2-1-13)9(5)15/h3-4H,2H2",253.965,"2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)acetonitrile",2654468,C10H4Cl2N2O2,106.94476:[C3HCl2]+;178.97725:[C8H2ClNO2]+;208.9678:[C9H4Cl2N2-H]+;236.96245:[C10H4Cl2N2O-H]+,106.94476_274.0;178.97725_391.0;208.9678_999.0;236.96245_999.0,22,4
314.50291421871833,0.2627,"InChI=1S/C9H9Cl3O2/c1-5-3-2-4-6(7(5)13)8(14)9(10,11)12/h2-4,8,13-14H,1H3",253.967,"2-methyl-6-(2,2,2-trichloro-1-hydroxy-ethyl)phenol",12516843,C9H9Cl3O2,208.9678:[C8H7Cl3]+H+;236.96245:[C9H8Cl3O]+,208.9678_999.0;236.96245_999.0,22,2
307.4167546912079,0.2568,"InChI=1S/C8H9Cl2O3P/c1-5-6(4-14(11,12)13)2-3-7(9)8(5)10/h2-3H,4H2,1H3,(H2,11,12,13)",253.967,"(3,4-dichloro-2-methyl-phenyl)methylphosphonic acid",20562195,C8H9Cl2O3P,106.94476:[C3HCl2]+;163.00682:[C7H6Cl2+2H]+H+;172.99055:[C8H7Cl2]+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,4
305.8996280086384,0.2555,"InChI=1S/C8H9Cl2O3P/c9-8(10,6-14(11,12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13)",253.967,"(2,2-dichloro-2-phenyl-ethyl)phosphonic acid",92004351,C8H9Cl2O3P,106.94476:[C3HCl2]+;163.00682:[C7H6Cl2+2H]+H+;172.99055:[C8H7Cl2]+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,4
305.8419065190872,0.2554,"InChI=1S/C8H9Cl2O3P/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8H,(H2,11,12,13)",253.967,"(1,2-dichloro-2-phenyl-ethyl)phosphonic acid",69908056,C8H9Cl2O3P,106.94476:[C3H2Cl2-H]+;163.00682:[C7H6Cl2+2H]+H+;172.99055:[C8H7Cl2]+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,4
303.45660244453614,0.2534,"InChI=1S/C7H7ClO6S/c1-6-2-4-7(5-3-6)15(12,13)14-8(9,10)11/h2-5H,1H3",253.965,perchloryl 4-methylbenzenesulfonate,87266305,C7H7ClO6S,143.98846:[C5H4O3S]+;144.99625:[C5H4O3S]+H+;146.0041:[C5H5O3S]+H+;236.96245:[C7H7ClO5S-H]+,143.98846_478.0;144.99625_352.0;146.0041_999.0;236.96245_999.0,22,4
303.2318506524174,0.2533,"InChI=1S/C9H9Cl3O2/c10-4-6-5-14-8(9(6,11)12)7-2-1-3-13-7/h1-3,6,8H,4-5H2/t6-,8?/m1/s1",253.967,"2-[(4S)-3,3-dichloro-4-(chloromethyl)tetrahydrofuran-2-yl]furan",101459543,C9H9Cl3O2,106.94476:[C3H3Cl2-2H]+;196.96778:[C7H7Cl3]+H+;208.9678:[C8H8Cl3]+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;196.96778_720.0;208.9678_999.0;236.96245_999.0,22,4
296.89096225057096,0.248,"InChI=1S/C8H9Cl2O3P/c1-12-14(11,13-2)8-4-6(9)3-7(10)5-8/h3-5H,1-2H3",253.967,"1,3-dichloro-5-dimethoxyphosphoryl-benzene",11459486,C8H9Cl2O3P,106.94476:[C3HCl2]+;208.9678:[C7H6Cl2OP+H]+H+;236.96245:[C8H9Cl2O2P-H]+,106.94476_274.0;208.9678_999.0;236.96245_999.0,22,3
296.89096225057096,0.248,"InChI=1S/C8H9Cl2O3P/c1-12-14(11,13-2)8-4-3-6(9)5-7(8)10/h3-5H,1-2H3",253.967,"2,4-dichloro-1-dimethoxyphosphoryl-benzene",118481570,C8H9Cl2O3P,106.94476:[C3HCl2]+;208.9678:[C7H6Cl2OP+H]+H+;236.96245:[C8H9Cl2O2P-H]+,106.94476_274.0;208.9678_999.0;236.96245_999.0,22,3
296.3905600990452,0.2475,"InChI=1S/C3H11IO5/c1-2-3-9-4(5,6,7)8/h5-8H,2-3H2,1H3",253.965,tetrahydroxy(propoxy)-$l^{5}-iodane,87084660,C3H11IO5,236.96245:[C3H10IO4]+,236.96245_999.0,22,1
293.3614809566535,0.245,"InChI=1S/C4H7IN4O/c1-4(2,5)9-3(10)6-7-8-9/h1-2H3,(H,6,8,10)",253.966,1-(1-iodo-1-methyl-ethyl)-2H-tetrazol-5-one,122677389,C4H7IN4O,196.96778:[C4H6IN+H]+H+;236.96245:[C4H6IN4]+,196.96778_720.0;236.96245_999.0,22,2
280.20486291410396,0.234,InChI=1S/C10H4Cl2N2O2/c11-7-2-1-6(3-8(7)12)9-4-10(13-5-15)16-14-9/h1-4H,253.965,"3-(3,4-dichlorophenyl)-5-isocyanato-isoxazole",83802912,C10H4Cl2N2O2,106.94476:[C3HCl2]+;115.98965:[C4HClNO+H]+H+;178.97725:[C8H3ClNO2-H]+;208.9678:[C9H4Cl2N2-H]+;236.96245:[C10H4Cl2N2O-H]+,106.94476_274.0;115.98965_95.0;178.97725_391.0;208.9678_999.0;236.96245_999.0,22,5
246.80210612299703,0.2061,"InChI=1S/C8H9Cl2O3P/c1-2-13-14(11,12)8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3,(H,11,12)",253.967,"(3,5-dichlorophenyl)-ethoxy-phosphinic acid",57681269,C8H9Cl2O3P,106.94476:[C3HCl2]+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;236.96245_999.0,22,2
246.80210612299703,0.2061,"InChI=1S/C8H9Cl2O3P/c1-2-13-14(11,12)8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)",253.967,"(2,4-dichlorophenyl)-ethoxy-phosphinic acid",59481704,C8H9Cl2O3P,106.94476:[C3HCl2]+;236.96245:[C8H8Cl2O2P]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-4-6(13)5-14-7-1-2-8(11)9(12)3-7/h1-3,6,13H,4-5H2",253.967,"1-chloro-3-(3,4-dichlorophenoxy)propan-2-ol",13096653,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-4-7(13)5-14-9-2-1-6(11)3-8(9)12/h1-3,7,13H,4-5H2",253.967,"1-chloro-3-(2,4-dichlorophenoxy)propan-2-ol",12468709,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c1-5(4-13)14-9-3-7(11)6(10)2-8(9)12/h2-3,5,13H,4H2,1H3/t5-/m1/s1",253.967,"(2R)-2-(2,4,5-trichlorophenoxy)propan-1-ol",71445532,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c1-2-7(13)14-6-4-3-5(10)8(11)9(6)12/h3-4,7,13H,2H2,1H3",253.967,"1-(2,3,4-trichlorophenoxy)propan-1-ol",19870037,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5,13H,1-3H2",253.967,"3-(2,4,5-trichlorophenoxy)propan-1-ol",43388617,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-6-4-7(11)9(8(12)5-6)14-3-1-2-13/h4-5,13H,1-3H2",253.967,"3-(2,4,6-trichlorophenoxy)propan-1-ol",43509905,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c1-5(13)4-14-9-3-7(11)6(10)2-8(9)12/h2-3,5,13H,4H2,1H3/t5-/m0/s1",253.967,"(2S)-1-(2,4,5-trichlorophenoxy)propan-2-ol",106933002,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-4-8(13)5-14-9-2-6(11)1-7(12)3-9/h1-3,8,13H,4-5H2",253.967,"1-chloro-3-(3,5-dichlorophenoxy)propan-2-ol",112560694,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-4-6(13)5-14-8-3-1-2-7(11)9(8)12/h1-3,6,13H,4-5H2",253.967,"1-chloro-3-(2,3-dichlorophenoxy)propan-2-ol",112560587,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c1-5(13)4-14-9-7(11)2-6(10)3-8(9)12/h2-3,5,13H,4H2,1H3/t5-/m1/s1",253.967,"(2R)-1-(2,4,6-trichlorophenoxy)propan-2-ol",81847540,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-4-3-9(13)14-8-2-1-6(11)5-7(8)12/h1-2,5,9,13H,3-4H2",253.967,"3-chloro-1-(2,4-dichlorophenoxy)propan-1-ol",70540582,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
239.04783321123418,0.1997,"InChI=1S/C9H9Cl3O2/c10-6-2-3-7(9(12)8(6)11)14-5-1-4-13/h2-3,13H,1,4-5H2",253.967,"3-(2,3,4-trichlorophenoxy)propan-1-ol",53690720,C9H9Cl3O2,106.94476:[C3HCl2]+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
237.48733502445805,0.1983,"InChI=1S/C9H9Cl3O2/c10-4-6(13)5-14-9-7(11)2-1-3-8(9)12/h1-3,6,13H,4-5H2",253.967,"1-chloro-3-(2,6-dichlorophenoxy)propan-2-ol",112560696,C9H9Cl3O2,106.94476:[C3Cl2]+H+;236.96245:[C9H8Cl3O]+,106.94476_274.0;236.96245_999.0,22,2
233.12854605122808,0.1947,"InChI=1S/C6H7O7PS/c7-14(8,13-15(9,10)11)12-6-4-2-1-3-5-6/h1-5H,(H,7,8)(H,9,10,11)",253.965,phenyl sulfo hydrogen phosphate,12759510,C6H7O7PS,236.96245:[C6H6O6PS]+,236.96245_999.0,22,1
228.99408778535917,0.1913,"InChI=1S/C6H7O7PS/c1-3-5-11-14(7,12-6-4-2)13-15(8,9)10/h1-2H,5-6H2,(H,8,9,10)",253.965,bis(prop-2-ynyl) sulfo phosphate,118687564,C6H7O7PS,236.96245:[C6H6O6PS]+,236.96245_999.0,22,1
227.32962883634877,0.1899,"InChI=1S/C9H9Cl3O2/c1-5-3-6(14-8(11)13)7(10)9(2,12)4-5/h3-4,7H,1-2H3",253.967,"(5,6-dichloro-3,5-dimethyl-cyclohexa-1,3-dien-1-yl) carbonochloridate",21386909,C9H9Cl3O2,106.94476:[C3H2Cl2-H]+;163.00682:[C7H6Cl2+2H]+H+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;163.00682_782.0;236.96245_999.0,22,3
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c1-2-6-5-7(13)3-4-8(6)14-9(10,11)12/h3-5,13H,2H2,1H3",253.967,3-ethyl-4-(trichloromethoxy)phenol,68486871,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c1-8(10,11)9(12,13)14-7-5-3-2-4-6-7/h2-6,13H,1H3",253.967,"1,2,2-trichloro-1-phenoxy-propan-1-ol",70359479,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-8(9(11,12)13)6-14-7-4-2-1-3-5-7/h1-5,8,13H,6H2",253.967,"1,1,2-trichloro-3-phenoxy-propan-1-ol",54357233,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-9(11,12)8(13)6-14-7-4-2-1-3-5-7/h1-5,8,13H,6H2",253.967,"1,1,1-trichloro-3-phenoxy-propan-2-ol",20536713,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-9(11,12)6-14-5-7-1-3-8(13)4-2-7/h1-4,13H,5-6H2",253.967,"4-(2,2,2-trichloroethoxymethyl)phenol",68114055,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-9(11,12)8(13,14)6-7-4-2-1-3-5-7/h1-5,13-14H,6H2",253.967,"1,1,1-trichloro-3-phenyl-propane-2,2-diol",68506898,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5,8,13H,1H3",253.967,"2,2,2-trichloro-1-(3-methylphenoxy)ethanol",71374232,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-4-7(13)5-14-9-3-6(11)1-2-8(9)12/h1-3,7,13H,4-5H2",253.967,"1-chloro-3-(2,5-dichlorophenoxy)propan-2-ol",20311864,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c1-8(10,9(11,12)13)14-7-5-3-2-4-6-7/h2-6,13H,1H3",253.967,"1,1,2-trichloro-2-phenoxy-propan-1-ol",70552192,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C4H7IN4O/c5-2-1-9(7)4(10)8-3(2)6/h1,3H,6-7H2,(H,8,10)",253.966,"3,6-diamino-5-iodo-1,6-dihydropyrimidin-2-one",117747155,C4H7IN4O,236.96245:[C4H6IN4]+,236.96245_999.0,22,1
225.37427313946523,0.1882,"InChI=1S/C9H9Cl3O2/c10-7(8(11)12)9(13)14-6-4-2-1-3-5-6/h1-5,7-9,13H",253.967,"2,3,3-trichloro-1-phenoxy-propan-1-ol",20536714,C9H9Cl3O2,236.96245:[C9H8Cl3O]+,236.96245_999.0,22,1
210.78611557715965,0.176,"InChI=1S/C10H4Cl2N2O2/c11-9-10(12)16-8-2-6(4-14)5(3-13)1-7(8)15-9/h1-2,9-10H",253.965,"2,3-dichloro-2,3-dihydro-1,4-benzodioxine-6,7-dicarbonitrile",122670051,C10H4Cl2N2O2,125.99793:[C8H2NO-2H]+;178.97725:[C8H3ClNO2-H]+;236.96245:[C10H4Cl2N2O-H]+,125.99793_207.0;178.97725_391.0;236.96245_999.0,22,3
209.95193597566976,0.1754,InChI=1S/C10H4Cl2N2O2/c11-8(15)6-3-1-5-2-4-7(9(12)16)14-10(5)13-6/h1-4H,253.965,"1,8-naphthyridine-2,7-dicarbonyl chloride",12826709,C10H4Cl2N2O2,115.98965:[C4H2ClNO]+H+;163.00682:[C8H4ClN2]+;172.99055:[C9H4ClN2-2H]+;236.96245:[C10H4Cl2N2O-H]+,115.98965_95.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,4
208.30769331244642,0.174,InChI=1S/C10H4Cl2N2O2/c11-9(15)7-8(10(12)16)14-6-4-2-1-3-5(6)13-7/h1-4H,253.965,"quinoxaline-2,3-dicarbonyl chloride",119092337,C10H4Cl2N2O2,115.98965:[C4HClNO+H]+H+;163.00682:[C8H4ClN2]+;172.99055:[C9H4ClN2-2H]+;236.96245:[C10H4Cl2N2O-H]+,115.98965_95.0;163.00682_782.0;172.99055_17.0;236.96245_999.0,22,4
202.75590484692896,0.1693,"InChI=1S/C10H4Cl2N2O2/c11-10(12)5-15-8-1-6(3-13)7(4-14)2-9(8)16-10/h1-2H,5H2",253.965,"3,3-dichloro-2H-1,4-benzodioxine-6,7-dicarbonitrile",122670052,C10H4Cl2N2O2,125.99793:[C8H2NO-2H]+;178.97725:[C8H4ClNO2-2H]+;236.96245:[C10H4Cl2N2O-H]+,125.99793_207.0;178.97725_391.0;236.96245_999.0,22,3
189.71839087223066,0.1585,InChI=1S/C10H4Cl2N2O2/c11-7-5(3-13)6(4-14)8(12)10-9(7)15-1-2-16-10/h1-2H2,253.965,"5,8-dichloro-2,3-dihydro-1,4-benzodioxine-6,7-dicarbonitrile",122675574,C10H4Cl2N2O2,178.97725:[C8H4ClNO2-2H]+;236.96245:[C10H4Cl2N2O-H]+,178.97725_391.0;236.96245_999.0,22,2
171.4707931747246,0.1432,"InChI=1S/C7H11O2PS3/c1-4-9-10(8)7-12-5(2)6(11-3)13-7/h4H2,1-3H3",253.966,NA,88115024,C7H11O2PS3,236.96245:[C7H11OPS3-H]+,236.96245_999.0,22,1
171.4707931747246,0.1432,"InChI=1S/C8H9Cl2O3P/c1-2-12-14(10,11)13-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3",253.967,1-chloro-4-[chloro(ethoxy)phosphoryl]oxy-benzene,85702239,C8H9Cl2O3P,236.96245:[C8H9Cl2O2P-H]+,236.96245_999.0,22,1
167.9251497909646,0.1403,"InChI=1S/C9H9Cl3O2/c1-2-3-4-5-14-8(13)6-7(10)9(11)12/h1H,3-6H2",253.967,"pent-4-ynyl 3,4,4-trichlorobut-3-enoate",4189310,C9H9Cl3O2,106.94476:[C3H2Cl2-H]+;236.96245:[C9H9Cl3O-H]+,106.94476_274.0;236.96245_999.0,22,2
155.30804896366675,0.1297,"InChI=1S/C8H9Cl2O3P/c1-2-11-14(9,10)12-7-5-3-4-6-8(7)13-14/h3-6H,2H2,1H3",253.967,"2,2-dichloro-2-ethoxy-1,3,2$l^{5}-benzodioxaphosphole",23413684,C8H9Cl2O3P,236.96245:[C8H9Cl2O2P-H]+,236.96245_999.0,22,1
151.08715880512477,0.1262,"InChI=1S/C6H7FN2O2S3/c7-1-2-11-4(10)3-13-6-9-8-5(12)14-6/h1-3H2,(H,8,12)",253.965,"2-fluoroethyl 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetate",118215254,C6H7FN2O2S3,236.96245:[C6H7FN2OS3-H]+,236.96245_999.0,22,1
151.08715880512477,0.1262,"InChI=1S/C4H7IN4O/c1-8-4(10)9(3-2-5)7-6-8/h2-3H2,1H3",253.966,1-(2-iodoethyl)-4-methyl-tetrazol-5-one,13676719,C4H7IN4O,236.96245:[C4H7IN4-H]+,236.96245_999.0,22,1
112.25973648547088,0.0938,"InChI=1S/C9H9Cl3O2/c1-2-5-14-8(9(10,11)12)7-4-3-6-13-7/h2-4,6,8H,1,5H2",253.967,"2-(1-allyloxy-2,2,2-trichloro-ethyl)furan",101459529,C9H9Cl3O2,236.96245:[C9H9Cl3O-H]+,236.96245_999.0,22,1
45.11824761907599,0.0377,InChI=1S/C8ClF5N2/c9-1-2(10)3(11)4(12)6-5(1)15-7(13)8(14)16-6,253.967,"5-chloro-2,3,6,7,8-pentafluoro-quinoxaline",21730705,C8ClF5N2,90.97445:[C3ClF]+H+;178.97725:[C6F5N-2H]+,90.97445_681.0;178.97725_391.0,22,2
13.673560071768947,0.0114,"InChI=1S/C9H9Cl3O2/c10-3-4-13-6-14-9-2-1-7(11)5-8(9)12/h1-2,5H,3-4,6H2",253.967,"2,4-dichloro-1-(2-chloroethoxymethoxy)benzene",350514,C9H9Cl3O2,106.94476:[C3HCl2]+,106.94476_274.0,22,1
13.673560071768947,0.0114,"InChI=1S/C9H9Cl3O2/c1-5(13-2)14-9-7(11)3-6(10)4-8(9)12/h3-5H,1-2H3",253.967,"1,3,5-trichloro-2-(1-methoxyethoxy)benzene",57311000,C9H9Cl3O2,106.94476:[C3HCl2]+,106.94476_274.0,22,1
13.673560071768947,0.0114,"InChI=1S/C9H9Cl3O2/c1-13-5-14-9-6(4-10)2-7(11)3-8(9)12/h2-3H,4-5H2,1H3",253.967,"1,5-dichloro-3-(chloromethyl)-2-(methoxymethoxy)benzene",65364337,C9H9Cl3O2,106.94476:[C3HCl2]+,106.94476_274.0,22,1
13.673560071768947,0.0114,"InChI=1S/C8H9Cl2O3P/c1-11-14(12-2)13-8-4-3-6(9)5-7(8)10/h3-5H,1-2H3",253.967,"(2,4-dichlorophenyl) dimethyl phosphite",15108300,C8H9Cl2O3P,106.94476:[C3HCl2]+,106.94476_274.0,22,1
13.673560071768947,0.0114,"InChI=1S/C9H9Cl3O2/c1-13-2-3-14-9-5-7(11)6(10)4-8(9)12/h4-5H,2-3H2,1H3",253.967,"1,2,4-trichloro-5-(2-methoxyethoxy)benzene",78827567,C9H9Cl3O2,106.94476:[C3HCl2]+,106.94476_274.0,22,1
12.192949791095549,0.0102,"InChI=1S/C9H9Cl3O2/c1-13-7-3-6(9(10,11)12)4-8(5-7)14-2/h3-5H,1-2H3",253.967,"1,3-dimethoxy-5-(trichloromethyl)benzene",21516893,C9H9Cl3O2,106.94476:[C3HCl2]+,106.94476_274.0,22,1
12.156433389199378,0.0102,InChI=1S/C9H9Cl3O2/c1-4-5(10)7(12)9(14-3)8(13-2)6(4)11/h1-3H3,253.967,"1,2,5-trichloro-3,4-dimethoxy-6-methyl-benzene",101122279,C9H9Cl3O2,106.94476:[C3Cl2]+H+,106.94476_274.0,22,1
11.935310773420413,0.01,"InChI=1S/C7H6BrF3N2/c8-4-1-5(9)7(12-2-4)13-3-6(10)11/h1-2,6H,3H2,(H,12,13)",253.967,"5-bromo-N-(2,2-difluoroethyl)-3-fluoro-pyridin-2-amine",104924591,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-5-3(6(10)11)1-4(9)7(12)13-5/h1,6H,2H2,(H2,12,13)",253.967,6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-pyridin-2-amine,119020352,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(9)7(12)13-5(3)6(10)11/h1,6H,2H2,(H2,12,13)",253.967,5-(bromomethyl)-6-(difluoromethyl)-3-fluoro-pyridin-2-amine,119015793,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-5-4(9)1-3(6(10)11)7(12)13-5/h1,6H,2H2,(H2,12,13)",253.967,6-(bromomethyl)-3-(difluoromethyl)-5-fluoro-pyridin-2-amine,119000880,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(6(10)11)13-7(12)5(3)9/h1,6H,2H2,(H2,12,13)",253.967,4-(bromomethyl)-6-(difluoromethyl)-3-fluoro-pyridin-2-amine,118999277,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-1-3-2-13-7(12)5(9)4(3)6(10)11/h2,6H,1H2,(H2,12,13)",253.967,5-(bromomethyl)-4-(difluoromethyl)-3-fluoro-pyridin-2-amine,119017105,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(6(10)11)5(9)7(12)13-3/h1,6H,2H2,(H2,12,13)",253.967,6-(bromomethyl)-4-(difluoromethyl)-3-fluoro-pyridin-2-amine,119012332,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(9)13-7(12)5(3)6(10)11/h1,6H,2H2,(H2,12,13)",253.967,4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-pyridin-2-amine,118998861,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(9)5(6(10)11)7(12)13-3/h1,6H,2H2,(H2,12,13)",253.967,6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-pyridin-2-amine,119021135,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(5(9)10)6(11)13-7(3)12/h1,5H,2H2,(H2,12,13)",253.967,3-(bromomethyl)-5-(difluoromethyl)-6-fluoro-pyridin-2-amine,118995880,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(9)5(6(10)11)13-7(3)12/h1,6H,2H2,(H2,12,13)",253.967,3-(bromomethyl)-6-(difluoromethyl)-5-fluoro-pyridin-2-amine,119015112,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-1-3-5(6(10)11)4(9)2-13-7(3)12/h2,6H,1H2,(H2,12,13)",253.967,3-(bromomethyl)-4-(difluoromethyl)-5-fluoro-pyridin-2-amine,118992544,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-1-3-4(6(10)11)2-13-7(12)5(3)9/h2,6H,1H2,(H2,12,13)",253.967,4-(bromomethyl)-5-(difluoromethyl)-3-fluoro-pyridin-2-amine,119019786,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-2-3-1-4(5(9)10)7(12)13-6(3)11/h1,5H,2H2,(H2,12,13)",253.967,5-(bromomethyl)-3-(difluoromethyl)-6-fluoro-pyridin-2-amine,119003806,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
10.964028892405521,0.0092,"InChI=1S/C7H6BrF3N2/c8-1-3-2-13-7(12)4(5(3)9)6(10)11/h2,6H,1H2,(H2,12,13)",253.967,5-(bromomethyl)-3-(difluoromethyl)-4-fluoro-pyridin-2-amine,118998961,C7H6BrF3N2,110.0275:[C5H3FN2]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-4-1-3(6(9)10)7(11)13-5(4)2-12/h1,6H,2,12H2",253.967,[3-bromo-5-(difluoromethyl)-6-fluoro-2-pyridyl]methanamine,118814361,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-6-3(7(10)11)1-5(9)13-4(6)2-12/h1,7H,2,12H2",253.967,[3-bromo-4-(difluoromethyl)-6-fluoro-2-pyridyl]methanamine,118814164,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-3-2-13-4(1-12)5(6(3)9)7(10)11/h2,7H,1,12H2",253.967,[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridyl]methanamine,118853937,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-3-2-13-4(1-12)6(9)5(3)7(10)11/h2,7H,1,12H2",253.967,[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118831229,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H,2,12H2",253.967,[3-bromo-6-(difluoromethyl)-4-fluoro-2-pyridyl]methanamine,118836950,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-6-3(9)2-13-4(1-12)5(6)7(10)11/h2,7H,1,12H2",253.967,[4-bromo-3-(difluoromethyl)-5-fluoro-2-pyridyl]methanamine,118842629,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H,2,12H2",253.967,[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridyl]methanamine,118803186,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-3-1-4(9)6(7(10)11)13-5(3)2-12/h1,7H,2,12H2",253.967,[3-bromo-6-(difluoromethyl)-5-fluoro-2-pyridyl]methanamine,118802904,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-5-3(2-12)1-4(9)13-6(5)7(10)11/h1,7H,2,12H2",253.967,[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridyl]methanamine,118823517,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-3-1-4(7(10)11)13-5(2-12)6(3)9/h1,7H,2,12H2",253.967,[4-bromo-6-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118808600,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-4-1-3(6(9)10)5(2-12)13-7(4)11/h1,6H,2,12H2",253.967,[5-bromo-3-(difluoromethyl)-6-fluoro-2-pyridyl]methanamine,118831302,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-5-4(1-12)13-2-3(6(5)9)7(10)11/h2,7H,1,12H2",253.967,[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridyl]methanamine,118802932,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-5-1-3(9)6(7(10)11)4(2-12)13-5/h1,7H,2,12H2",253.967,[6-bromo-3-(difluoromethyl)-4-fluoro-2-pyridyl]methanamine,118808877,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-6-4(1-12)13-2-3(9)5(6)7(10)11/h2,7H,1,12H2",253.967,[3-bromo-4-(difluoromethyl)-5-fluoro-2-pyridyl]methanamine,118848147,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-3-1-4(9)5(2-12)13-6(3)7(10)11/h1,7H,2,12H2",253.967,[5-bromo-6-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118820167,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.203863689082678,0.006,"InChI=1S/C7H6BrF3N2/c8-4-1-3(2-12)5(9)6(13-4)7(10)11/h1,7H,2,12H2",253.967,[6-bromo-2-(difluoromethyl)-3-fluoro-4-pyridyl]methanamine,118801053,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H,1,12H2",253.967,[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118803013,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-6-4(9)1-3(7(10)11)5(2-12)13-6/h1,7H,2,12H2",253.967,[6-bromo-3-(difluoromethyl)-5-fluoro-2-pyridyl]methanamine,118803154,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-5-1-3(7(10)11)6(9)4(2-12)13-5/h1,7H,2,12H2",253.967,[6-bromo-4-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118831362,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
7.2058550351433786,0.006,"InChI=1S/C7H6BrF3N2/c8-6-3(7(10)11)1-4(9)5(2-12)13-6/h1,7H,2,12H2",253.967,[6-bromo-5-(difluoromethyl)-3-fluoro-2-pyridyl]methanamine,118842581,C7H6BrF3N2,110.0275:[C5H5FN2-2H]+,110.0275_110.0,22,1
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2",253.967,"3-bromo-5-(trifluoromethyl)benzene-1,2-diamine",735785,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-13(7(9,10)11)6-3-2-5(8)4-12-6/h2-4H,1H3",253.967,5-bromo-N-methyl-N-(trifluoromethyl)pyridin-2-amine,14942323,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-2-1-3-12-6(5)13-4-7(9,10)11/h1-3H,4H2,(H,12,13)",253.967,"3-bromo-N-(2,2,2-trifluoroethyl)pyridin-2-amine",61373713,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-5(8)4-13-3-2-6(12-13)7(9,10)11/h2-3H,1,4H2",253.967,1-(2-bromoallyl)-3-(trifluoromethyl)pyrazole,116621416,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-12-6-5(8)2-4(3-13-6)7(9,10)11/h2-3H,1H3,(H,12,13)",253.967,3-bromo-N-methyl-5-(trifluoromethyl)pyridin-2-amine,67981323,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-2-5(12)3(1-6(4)13)7(9,10)11/h1-2H,12-13H2",253.967,"2-bromo-5-(trifluoromethyl)benzene-1,4-diamine",118836003,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-3,13H,12H2",253.967,[4-bromo-2-(trifluoromethyl)phenyl]hydrazine,50988740,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-2-4-1-6(12)13-3-5(4)7(9,10)11/h1,3H,2H2,(H2,12,13)",253.967,4-(bromomethyl)-5-(trifluoromethyl)pyridin-2-amine,118703945,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-13-6(7(9,10)11)1-4(5)2-12/h1,3H,2,12H2",253.967,[5-bromo-2-(trifluoromethyl)-4-pyridyl]methanamine,74892161,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-12-6(13-4-5)1-2-7(9,10)11/h3-4H,1-2H2",253.967,"5-bromo-2-(3,3,3-trifluoropropyl)pyrimidine",84708345,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-1-2-13-6(12)5(4)7(9,10)11/h1-2H,3H2,(H2,12,13)",253.967,4-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine,118703944,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(2-1-3-13-6)5(12)7(9,10)11/h1-3,5H,12H2/t5-/m1/s1",253.967,"(1R)-1-(2-bromo-3-pyridyl)-2,2,2-trifluoro-ethanamine",97290361,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-2-1-3-6(13-5)12-4-7(9,10)11/h1-3H,4H2,(H,12,13)",253.967,"6-bromo-N-(2,2,2-trifluoroethyl)pyridin-2-amine",63963853,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-5(3-12)13-6(2-4)7(9,10)11/h1-2H,3,12H2",253.967,[4-bromo-6-(trifluoromethyl)-2-pyridyl]methanamine,72212528,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-5(7(9,10)11)1-2-13-6(4)12/h1-2H,3H2,(H2,12,13)",253.967,3-(bromomethyl)-4-(trifluoromethyl)pyridin-2-amine,118703941,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-3-5(7(9,10)11)12-4(2)13-6(3)8/h1-2H3",253.967,"4-bromo-2,5-dimethyl-6-(trifluoromethyl)pyrimidine",83399208,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-2-1-4(13-12)3-5(6)7(9,10)11/h1-3,13H,12H2",253.967,[4-bromo-3-(trifluoromethyl)phenyl]hydrazine,53426482,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-2-5-12-3-4(8)6(13-5)7(9,10)11/h3H,2H2,1H3",253.967,5-bromo-2-ethyl-4-(trifluoromethyl)pyrimidine,82374750,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-3(12)2-5(13)6(4)7(9,10)11/h1-2H,12-13H2",253.967,"5-bromo-4-(trifluoromethyl)benzene-1,3-diamine",118807892,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(3-12)1-2-5(13-6)7(9,10)11/h1-2H,3,12H2",253.967,[2-bromo-6-(trifluoromethyl)-3-pyridyl]methanamine,58873619,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-1-2-4(12)5(6(3)13)7(9,10)11/h1-2H,12-13H2",253.967,"4-bromo-2-(trifluoromethyl)benzene-1,3-diamine",118819162,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-4(2-12)6(13-3-5)7(9,10)11/h1,3H,2,12H2",253.967,[5-bromo-2-(trifluoromethyl)-3-pyridyl]methanamine,72213026,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-1-5(7(9,10)11)13-6(12)2-4/h1-2H,3H2,(H2,12,13)",253.967,4-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine,118703946,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-3,13H,12H2",253.967,[2-bromo-5-(trifluoromethyl)phenyl]hydrazine,2773419,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(7(9,10)11)2-1-3-5(6)13-12/h1-3,13H,12H2",253.967,[2-bromo-3-(trifluoromethyl)phenyl]hydrazine,118835716,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)5(12)2-6(4)13/h1-2H,12-13H2",253.967,"4-bromo-6-(trifluoromethyl)benzene-1,3-diamine",118813525,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-2-4-1-5(7(9,10)11)6(12)13-3-4/h1,3H,2H2,(H2,12,13)",253.967,5-(bromomethyl)-3-(trifluoromethyl)pyridin-2-amine,123704629,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3(7(9,10)11)1-2-4(12)6(5)13/h1-2H,12-13H2",253.967,"3-bromo-4-(trifluoromethyl)benzene-1,2-diamine",99770111,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C9H9Cl3O2/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h3-6H,2H2,1H3",253.967,1-ethoxy-2-(trichloromethoxy)benzene,90754308,C9H9Cl3O2,NA,NA,22,0
0.0,0.0,"InChI=1S/C6H4F6S2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H2",253.966,"5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine",101408963,C6H4F6S2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-13-12-6-3-1-5(2-4-6)7(9,10)11/h1-4,12-13H",253.967,1-bromo-2-[4-(trifluoromethyl)phenyl]hydrazine,20429810,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-1-2-4(12)6(13)5(3)7(9,10)11/h1-2H,12-13H2",253.967,"4-bromo-3-(trifluoromethyl)benzene-1,2-diamine",91634080,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-13(12)6-3-1-2-5(4-6)7(9,10)11/h1-4H,12H2",253.967,1-bromo-1-[3-(trifluoromethyl)phenyl]hydrazine,53405646,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-4(12)2-1-3(6(5)13)7(9,10)11/h1-2H,12-13H2",253.967,"2-bromo-4-(trifluoromethyl)benzene-1,3-diamine",118836068,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-3-6(12)4(7(9,10)11)2-5(8)13-3/h2H,12H2,1H3",253.967,6-bromo-2-methyl-4-(trifluoromethyl)pyridin-3-amine,83488500,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C9H9Cl3O2/c10-7-1-3-8(4-2-7)13-5-6-14-9(11)12/h1-4,9H,5-6H2",253.967,1-chloro-4-[2-(dichloromethoxy)ethoxy]benzene,20147892,C9H9Cl3O2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-2-4(3-12)1-5(13-6)7(9,10)11/h1-2H,3,12H2",253.967,[2-bromo-6-(trifluoromethyl)-4-pyridyl]methanamine,72216134,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-3-5(8)2-4(6(12)13-3)7(9,10)11/h2H,1H3,(H2,12,13)",253.967,5-bromo-6-methyl-3-(trifluoromethyl)pyridin-2-amine,90017290,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-2-4-5(7(9,10)11)12-3-13-6(4)8/h3H,2H2,1H3",253.967,4-bromo-5-ethyl-6-(trifluoromethyl)pyrimidine,83399178,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2H,12-13H2",253.967,"5-bromo-3-(trifluoromethyl)benzene-1,2-diamine",10515152,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-2-1-5-3-12-6(13-4-5)7(9,10)11/h3-4H,1-2H2",253.967,5-(2-bromoethyl)-2-(trifluoromethyl)pyrimidine,66911660,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13)",253.967,4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole,118798443,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-2-1-4(7(9,10)11)5(3-12)13-6/h1-2H,3,12H2",253.967,[6-bromo-3-(trifluoromethyl)-2-pyridyl]methanamine,119081621,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-1-2-5(7(9,10)11)13-6(4)12/h1-2H,3H2,(H2,12,13)",253.967,3-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine,118703943,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-4(2-13-3-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1",253.967,"(1R)-1-(5-bromo-3-pyridyl)-2,2,2-trifluoro-ethanamine",97290357,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C9H9Cl3O2/c1-13-8-4-2-7(3-5-8)6-14-9(10,11)12/h2-5H,6H2,1H3",253.967,1-methoxy-4-(trichloromethoxymethyl)benzene,57261789,C9H9Cl3O2,NA,NA,22,0
0.0,0.0,"InChI=1S/C5H3BrN8/c6-5(13-14-8)11-2-3(7)9-1-10-4(2)12-5/h1H,(H2,7,9,10,12)",253.966,(6-amino-8-bromo-purin-8-yl)-diazonio-azanide,54231883,C5H3BrN8,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-5(7(9,10)11)6(2-12)13-3-4/h1,3H,2,12H2",253.967,[5-bromo-3-(trifluoromethyl)-2-pyridyl]methanamine,67266335,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-6(4-12,5-13)1-2-7(9,10)11/h1-3H2",253.967,"2-(bromomethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile",86612542,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-3-4(13-12)1-2-5(6)7(9,10)11/h1-3,13H,12H2",253.967,[3-bromo-4-(trifluoromethyl)phenyl]hydrazine,68714321,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C11H10SSe/c1-2-4-9-6-8-13-11(9)10-5-3-7-12-10/h2-3,5-8H,1,4H2",253.967,2-(3-allylselenophen-2-yl)thiophene,87256181,C11H10SSe,NA,NA,22,0
0.0,0.0,"InChI=1S/C11H10SSe/c1-9-7-8-12-11(9)13-10-5-3-2-4-6-10/h2-8H,1H3",253.967,3-methyl-2-phenylselanyl-thiophene,10999563,C11H10SSe,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(12)1-3(2-5(6)13)7(9,10)11/h1-2H,12-13H2",253.967,"2-bromo-5-(trifluoromethyl)benzene-1,3-diamine",118813455,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-1-2-5(12)13-6(4)7(9,10)11/h1-2H,3H2,(H2,12,13)",253.967,5-(bromomethyl)-6-(trifluoromethyl)pyridin-2-amine,118703948,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-2-3(12)1-4(6(5)13)7(9,10)11/h1-2H,12-13H2",253.967,"2-bromo-6-(trifluoromethyl)benzene-1,4-diamine",67407678,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2H,12-13H2",253.967,"4-bromo-5-(trifluoromethyl)benzene-1,3-diamine",23135586,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-13-12-6-3-1-2-5(4-6)7(9,10)11/h1-4,12-13H",253.967,1-bromo-2-[3-(trifluoromethyl)phenyl]hydrazine,45934000,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-4(7(9,10)11)1-2-6(5)13-12/h1-3,13H,12H2",253.967,[2-bromo-4-(trifluoromethyl)phenyl]hydrazine,53909934,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-4(2-12)3-13-6(5)7(9,10)11/h1,3H,2,12H2",253.967,[5-bromo-6-(trifluoromethyl)-3-pyridyl]methanamine,105510528,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3",253.967,"4-bromo-5,6-dimethyl-2-(trifluoromethyl)pyrimidine",118325275,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-12-2-1-6(5)13-4-7(9,10)11/h1-3H,4H2,(H,12,13)",253.967,"3-bromo-N-(2,2,2-trifluoroethyl)pyridin-4-amine",104776748,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-2-1-3-5(13-12)6(4)7(9,10)11/h1-3,13H,12H2",253.967,[3-bromo-2-(trifluoromethyl)phenyl]hydrazine,118802040,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-2-6(12-3-5)13-4-7(9,10)11/h1-3H,4H2,(H,12,13)",253.967,"5-bromo-N-(2,2,2-trifluoroethyl)pyridin-2-amine",29280222,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-2-1-4(3-13-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1",253.967,"(1R)-1-(6-bromo-3-pyridyl)-2,2,2-trifluoro-ethanamine",97290360,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-12-6-5(7(9,10)11)2-4(8)3-13-6/h2-3H,1H3,(H,12,13)",253.967,5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine,67266336,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-1-4(12)6(5(13)2-3)7(9,10)11/h1-2H,12-13H2",253.967,"5-bromo-2-(trifluoromethyl)benzene-1,3-diamine",57911085,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-2-1-5(3-12-6)13-4-7(9,10)11/h1-3,13H,4H2",253.967,"6-bromo-N-(2,2,2-trifluoroethyl)pyridin-3-amine",87347899,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-6(3-12-2-5)13-4-7(9,10)11/h1-3,13H,4H2",253.967,"5-bromo-N-(2,2,2-trifluoroethyl)pyridin-3-amine",104531538,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-1-2-4(6(5)13-12)7(9,10)11/h1-3,13H,12H2",253.967,[2-bromo-6-(trifluoromethyl)phenyl]hydrazine,118807591,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-2-1-5-3-13-6(4-12-5)7(9,10)11/h3-4H,1-2H2",253.967,2-(2-bromoethyl)-5-(trifluoromethyl)pyrazine,72212630,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-2-5-4(8)3-12-6(13-5)7(9,10)11/h3H,2H2,1H3",253.967,5-bromo-4-ethyl-2-(trifluoromethyl)pyrimidine,82374755,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C11H10SSe/c1-2-4-9-6-7-12-11(9)10-5-3-8-13-10/h2-3,5-8H,1,4H2",253.967,3-allyl-2-selenophen-2-yl-thiophene,87257326,C11H10SSe,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-12-6-2-4(7(9,10)11)5(8)3-13-6/h2-3H,1H3,(H,12,13)",253.967,5-bromo-N-methyl-4-(trifluoromethyl)pyridin-2-amine,70822410,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3,13H,12H2",253.967,[3-bromo-5-(trifluoromethyl)phenyl]hydrazine,65490425,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-1-2-5(7(9,10)11)6(3-4)13-12/h1-3,13H,12H2",253.967,[5-bromo-2-(trifluoromethyl)phenyl]hydrazine,69160772,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-2-4(7(9,10)11)1-5(3-12)13-6/h1-2H,3,12H2",253.967,[6-bromo-4-(trifluoromethyl)-2-pyridyl]methanamine,72215965,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-6-4(13)2-1-3(12)5(6)7(9,10)11/h1-2H,12-13H2",253.967,"2-bromo-3-(trifluoromethyl)benzene-1,4-diamine",70433756,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-2-1-3(7(9,10)11)5(12)6(4)13/h1-2H,12-13H2",253.967,"3-bromo-6-(trifluoromethyl)benzene-1,2-diamine",90848532,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2",253.967,"4-bromo-5-(trifluoromethyl)benzene-1,2-diamine",10538921,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-2-4-1-5(7(9,10)11)3-13-6(4)12/h1,3H,2H2,(H2,12,13)",253.967,3-(bromomethyl)-5-(trifluoromethyl)pyridin-2-amine,118703942,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c1-3-2-4(7(9,10)11)13-6(8)5(3)12/h2H,12H2,1H3",253.967,2-bromo-4-methyl-6-(trifluoromethyl)pyridin-3-amine,121232092,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-3-4-1-2-13-6(5(4)12)7(9,10)11/h1-2H,3,12H2",253.967,4-(bromomethyl)-2-(trifluoromethyl)pyridin-3-amine,118703947,C7H6BrF3N2,NA,NA,22,0
0.0,0.0,"InChI=1S/C7H6BrF3N2/c8-5-3-1-2-4(13-5)6(12)7(9,10)11/h1-3,6H,12H2/t6-/m1/s1",253.967,"(1R)-1-(6-bromo-2-pyridyl)-2,2,2-trifluoro-ethanamine",97290363,C7H6BrF3N2,NA,NA,22,0