ACCESSION: MSBNK-EPA-ENTACT_AGILENT000516
RECORD_TITLE: 2-Chloro-4-nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Chloro-4-nitroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClN₂O₂
CH$EXACT_MASS: 172.0039551289
CH$SMILES: NC1C=CC(=CC=1Cl)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2
CH$LINK: CAS 121-87-9
CH$LINK: INCHIKEY LOCWBQIWHWIRGN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8492

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$FOCUSED_ION: PRECURSOR_M/Z 170.9966786772
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0900000000-90aa4d3ad3671aa4785f
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  34.969401 1.647314 16
  105.022012 4.060299 40
  135.020001 9.46134 94
  140.99869 1.679734 16
  170.996679 100.000001 999
//