ACCESSION: MSBNK-EPA-ENTACT_AGILENT000237
RECORD_TITLE: CP-863187; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-863187
CH$NAME: DTXSID0047294
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₄F₂N₄O
CH$EXACT_MASS: 340.1135674985
CH$SMILES: CC(C)C1=NN=C2C=CC(=CN21)C1OC=NC=1C1=CC(F)=CC=C1F
CH$IUPAC: InChI=1S/C18H14F2N4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-7-12(19)4-5-14(13)20/h3-10H,1-2H3
CH$LINK: CAS 668981-02-0
CH$LINK: INCHIKEY UACOXBQBNWQWOK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9949821

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$FOCUSED_ION: PRECURSOR_M/Z 341.1208439502
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-0019000000-7392ca63818ce6933a8f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  190.046282 4.196656 41
  217.057181 1.724892 17
  272.062995 9.590422 95
  341.120844 99.999998 999
//