Dataset

TDCPP; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU246905 contains the MS2 mass spectrum of TDCPP with the InChIkey ASLWPAWFJZFCKF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
SMILES ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl
InChI Key ASLWPAWFJZFCKF-UHFFFAOYSA-N
Molecular Formula C9H15Cl6O4P
Exact Mass 427.884 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU246905
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Maintainer
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MetadataPublished 2019-04-08
Related Molecule
  • tris(1,3-dichloropropan-2-yl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:143729 chebi
    CHEMBL3182032 chembl
    333198 surechembl
    26177 pubchem
    B1PRV4G0T0 fdasrs
    PD102521 probes_and_drugs
    225944 brenda
    225945 brenda
    247620 brenda
    HMDB0244565 hmdb
    Molport-006-120-593 molport
    The data in this table is sourced from UniChem at EBI.