ACCESSION: MSBNK-EPA-ENTACT_AGILENT000514
RECORD_TITLE: 2-Chloro-4-nitroaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0002-9000000000-8ef9c127aacf8b6b2b21
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  34.969401 23.574106 235
  41.998537 3.101945 30
  45.993452 99.999996 999
  46.017261 1.962135 19
  46.029837 1.269217 12
  63.011448 3.308044 33
  65.998537 1.171832 11
  78.970464 1.038883 10
  88.019273 16.11912 161
  89.027098 32.869946 328
  105.022012 15.104594 150
  135.020001 1.486155 14
//