ACCESSION: MSBNK-EPA-ENTACT_AGILENT000697
RECORD_TITLE: 4-Fluoro-3-nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Fluoro-3-nitroaniline
CH$NAME: DTXSID5052042
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅FN₂O₂
CH$EXACT_MASS: 156.0335056189
CH$SMILES: NC1=CC(=C(F)C=C1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
CH$LINK: CAS 364-76-1
CH$LINK: INCHIKEY LLIOADBCFIXIEU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67768

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$FOCUSED_ION: PRECURSOR_M/Z 155.0262291672
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052b-9800000000-32c808c6a1394f82056f
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  45.993452 99.999998 999
  46.017261 2.136382 21
  46.029837 1.064173 10
  98.017341 3.08621 30
  108.025501 1.024078 10
  109.033326 1.070186 10
  125.028241 41.312461 412
  155.026229 58.58997 585
//