ACCESSION: MSBNK-EPA-ENTACT_AGILENT002352
RECORD_TITLE: 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene
CH$NAME: DTXSID8020175
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₈Cl₄N₂O₂
CH$EXACT_MASS: 399.9339883546
CH$SMILES: ClC1C=C(Cl)C=NC=1OC1C=CC(=CC=1)OC1=NC=C(Cl)C=C1Cl
CH$IUPAC: InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
CH$LINK: CAS 76150-91-9
CH$LINK: INCHIKEY BAFKRPOFIYPKBQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5382

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 400.9412648063
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0040900000-1879e9016120d184d416
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  203.012756 1.219502 12
  237.981608 43.010246 429
  238.989434 7.443509 74
  364.964587 1.518713 15
  400.941265 99.999999 999
//