ACCESSION: MSBNK-AGILENT-AG000005
RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Hexaflumuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₈Cl₂F₆N₂O₃
CH$EXACT_MASS: 459.98162
CH$SMILES: O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F
CH$IUPAC: InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
CH$LINK: CAS 86479-06-3
CH$LINK: CHEMSPIDER 82839
CH$LINK: INCHIKEY RGNPBRKPHBKNKX-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 460.9888932086
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0900000000-b044809c9f624c943acd
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  45.033491 1.686322 16
  57.069877 1.115873 11
  63.022927 1.053767 10
  67.054227 1.303114 13
  89.059706 1.145875 11
  113.019733 3.82277 38
  140.030632 3.738392 37
  141.014648 99.999998 999
  142.017307 5.136508 51
  158.040054 47.215266 471
  159.044056 3.216821 32
  277.975221 1.01299 10
//