ACCESSION: MSBNK-EPA-ENTACT_AGILENT000187
RECORD_TITLE: 2,4,5-Trichlorobenzenesulfonic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,4,5-Trichlorobenzenesulfonic acid
CH$NAME: DTXSID2045072
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₃Cl₃O₃S
CH$EXACT_MASS: 259.8868478226
CH$SMILES: OS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Cl
CH$IUPAC: InChI=1S/C6H3Cl3O3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H,10,11,12)
CH$LINK: CAS 6378-25-2
CH$LINK: INCHIKEY LEDKKDPOPIKMSZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:80786

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 258.8795713709
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0090000000-64a426cccf9347d35b39
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
194.917671 3.628539 36
258.879571 99.999999 999
//