MassBank Record: MSBNK-EPA-ENTACT_AGILENT001909

N-(3,4-Dichlorophenyl)-N'-methylurea; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001909
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

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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

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 216.9940918606
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0a4i-1900000000-59351e77f8fd2ce67a26
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  34.969401 13.308192 132
  123.99595 5.710983 57
  159.972628 100.000001 999
//