ACCESSION: MSBNK-EPA-ENTACT_AGILENT000746
RECORD_TITLE: 2,6-Dibromo-4-nitroaniline; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Dibromo-4-nitroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄Br₂N₂O₂
CH$EXACT_MASS: 293.863953187
CH$SMILES: NC1C(Br)=CC(=CC=1Br)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H4Br2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
CH$LINK: CAS 827-94-1
CH$LINK: INCHIKEY YMZIFDLWYUSZCC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13231

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$FOCUSED_ION: PRECURSOR_M/Z 292.8566767353
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-3133821c12c102e807ab
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  78.918886 99.999999 999
  134.012176 2.119574 21
  166.937611 1.10376 11
  182.932525 1.550886 15
  212.930514 3.790347 37
  292.856677 1.424662 14
//