ACCESSION: MSBNK-EPA-ENTACT_AGILENT000726
RECORD_TITLE: 4'-Chloroacetoacetanilide; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4'-Chloroacetoacetanilide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀ClNO₂
CH$EXACT_MASS: 211.040006281
CH$SMILES: CC(=O)CC(=O)NC1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
CH$LINK: CAS 101-92-8
CH$LINK: INCHIKEY JMRJWEJJUKUBEA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7587

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$FOCUSED_ION: PRECURSOR_M/Z 210.0327298293
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-9110000000-e95051e43cdd89131eb0
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.003288 2.535964 25
  57.034588 100.000002 999
  57.058398 2.538096 25
  57.070974 1.477448 14
  83.013853 98.273997 981
  83.050238 2.32994 23
  126.0116 31.479454 314
  210.03273 44.686181 446
//