ACCESSION: MSBNK-EPA-ENTACT_AGILENT002351
RECORD_TITLE: 1,4-Bis[2-(3,5-dichloropyridyloxy)]benzene; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-000i-0190000000-ccaaead5999c63504d24
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  72.983954 1.458436 14
  140.049476 3.763387 37
  145.955881 2.383915 23
  163.966446 1.981295 19
  168.04439 1.937101 19
  174.010016 4.190145 41
  175.017841 12.934053 129
  176.025666 3.859948 38
  202.004931 1.06476 10
  203.012756 22.086258 220
  204.021068 3.081148 30
  209.986694 2.736202 27
  210.994519 5.237141 52
  237.981608 100 999
  238.041803 1.492922 14
  238.989921 4.720691 47
  253.97701 1.712223 17
  302.00082 1.365089 13
  303.008645 1.072097 10
  337.977497 1.578583 15
  364.964587 4.564016 45
  400.941265 3.000197 29
//