ACCESSION: MSBNK-EPA-ENTACT_AGILENT001912
RECORD_TITLE: N-(3,4-Dichlorophenyl)-N'-methylurea; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(3,4-Dichlorophenyl)-N'-methylurea
CH$NAME: DTXSID3042180
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈Cl₂N₂O
CH$EXACT_MASS: 218.0013683123
CH$SMILES: CNC(=O)NC1=CC(Cl)=C(Cl)C=C1
CH$IUPAC: InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
CH$LINK: CAS 3567-62-2
CH$LINK: INCHIKEY IDQHRQQSSQDLTR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:19113

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$FOCUSED_ION: PRECURSOR_M/Z 219.008644764
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-3900000000-bf6b17556e69e810517c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  61.007276 16.44509 164
  79.018328 1.783084 17
  83.000667 2.283169 22
  92.997593 1.48446 14
  98.974452 22.200164 221
  99.982277 5.442111 54
  101.002191 1.163143 11
  102.969367 1.011044 10
  117.020915 1.78096 17
  120.983954 2.121145 21
  122.987028 22.149532 221
  125.974118 3.388524 33
  127.018328 1.354632 13
  140.997593 100.000002 999
  161.987181 1.082189 10
  176.986847 1.103206 11
  200.99808 2.843725 28
  219.008645 3.310562 33
//