MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004951
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004951
RECORD_TITLE: 1,1-DICHLORO-2-(P-CHLOROPHENYL)ETHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,1-DICHLORO-2-(P-CHLOROPHENYL)ETHENE
CH$NAME: 4,BETA,BETA-TRICHLOROSTYRENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H5Cl3
CH$EXACT_MASS: 205.94568
CH$SMILES: Clc(c1)ccc(c1)C=C(Cl)Cl
CH$IUPAC: InChI=1S/C8H5Cl3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
CH$LINK: CAS
5263-17-2
CH$LINK: INCHIKEY
XHNKLLVUWOTSGX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70294111
AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-2690000000-b64f370d844d59577808
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
50 10.64 106
67 7.74 77
68 11.31 113
74 14.75 148
75 8.28 83
85 15.49 155
86 9.4 94
99 7.46 75
100 5.71 57
101 9.7 97
103 6.82 68
104 6.46 65
135 11.21 112
136 44.37 444
137 6.59 66
138 13.84 138
146 8.91 89
148 5.61 56
170 7.29 73
171 26.15 262
172 8.97 90
173 17.33 173
206 99.99 999
207 6.69 67
208 97.82 978
209 14.72 147
210 32.54 325
212 5.88 59
//