ACCESSION: MSBNK-EPA-ENTACT_AGILENT001910
RECORD_TITLE: N-(3,4-Dichlorophenyl)-N'-methylurea; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-014l-1980000000-298f5adb2080e5fcf0ca
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  61.007276 3.237198 32
  79.018328 1.189904 11
  98.974452 14.486566 144
  99.982277 2.662261 26
  101.002678 1.163172 11
  122.987028 2.207934 22
  136.978869 2.101731 20
  140.961695 14.753888 147
  140.997593 77.510242 774
  141.021402 2.649153 26
  176.986847 6.741943 67
  177.992842 10.212259 102
  183.008645 1.595106 15
  200.99808 13.927402 139
  219.008645 100.000003 999
//