ACCESSION: MSBNK-EPA-ENTACT_AGILENT000515
RECORD_TITLE: 2-Chloro-4-nitroaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-05g0-2900000000-d6484ba463c581e98ce3
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  34.969401 27.137283 271
  41.998537 1.390746 13
  45.993452 28.033242 280
  88.019273 2.356747 23
  89.027098 9.855429 98
  105.022012 98.096327 979
  135.020001 96.846063 967
  140.99869 7.183687 71
  170.996679 100 999
//