Dataset

PHOSPHOROTHIOIC ACID O-(2,6-DICHLORO-PARA-TOLYL) O,O-DIMETHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010420 contains the MS mass spectrum of PHOSPHOROTHIOIC ACID O-(2,6-DICHLORO-PARA-TOLYL) O,O-DIMETHYL ESTER with the InChIkey OBZIQQJJIKNWNO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
SMILES Cc(c1)cc(Cl)c(c(Cl)1)OP(=S)(OC)OC
InChI Key OBZIQQJJIKNWNO-UHFFFAOYSA-N
Molecular Formula C9H11Cl2O3PS
Exact Mass 299.954 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010420
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MetadataPublished 2016-01-19
Related Molecule
  • (2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81731 chebi
    CHEMBL2141416 chembl
    30367 surechembl
    91664 pubchem
    G42OQL6F5B fdasrs
    PD011975 probes_and_drugs
    252979 brenda
    Molport-003-931-036 molport
    The data in this table is sourced from UniChem at EBI.