ACCESSION: MSBNK-EPA-ENTACT_AGILENT000424
RECORD_TITLE: 3,5-Dichlorosalicyl-3,4-dichloroanilide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3,5-Dichlorosalicyl-3,4-dichloroanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₇Cl₄NO₂
CH$EXACT_MASS: 348.9230893153
CH$SMILES: OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1C=C(Cl)C(Cl)=CC=1
CH$IUPAC: InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
CH$LINK: CAS 1154-59-2
CH$LINK: INCHIKEY SJQBHPJLLIJASD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14385

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 347.9158128636
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0229-2900000000-474e0648ad7ec965ffeb
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  34.969401 34.076589 340
  41.998537 1.208976 12
  61.008374 1.185567 11
  89.003288 27.422758 273
  123.99595 3.717836 37
  124.979966 99.999997 999
  125.016351 3.199982 31
  125.039674 1.431967 14
  158.940994 5.445282 54
  159.972628 37.554744 375
  160.957131 64.208864 641
  161.003775 1.557414 15
  347.915813 1.224238 12
//