Dataset

Tris(1-chloro-2-propyl) phosphate; LC-ESI-QTOF; MS2; 80 V

This MassBank record with Accession MSBNK-BAFG-CSL23111014020 contains the MS2 mass spectrum of Tris(1-chloro-2-propyl) phosphate with the InChIkey KVMPUXDNESXNOH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3
SMILES CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl
InChI Key KVMPUXDNESXNOH-UHFFFAOYSA-N
Molecular Formula C9H18Cl3O4P
Exact Mass 326.001 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111014020
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • tris(1-chloropropan-2-yl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:143728 chebi
    CHEMBL3188873 chembl
    35713 surechembl
    26176 pubchem
    CRT22GFY70 fdasrs
    PD167504 probes_and_drugs
    225949 brenda
    225950 brenda
    Molport-006-120-592 molport
    The data in this table is sourced from UniChem at EBI.