Dataset

Tris(2-chloroisopropyl)phosphate; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M+Na]+

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117113 contains the MS2 mass spectrum of Tris(2-chloroisopropyl)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

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117113
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MetadataPublished 2021-09-05
Related Molecule
  • tris(1-chloropropan-2-yl) phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    26176 PubChem
    225949 Brenda
    CB0221470 ChemicalBook
    143728 ChEBI
    DTXSID5026259 EPA CompTox Dashboard
    CRT22GFY70 FDA SRS
    CHEMBL3188873 ChEMBL
    J50.405J Nikkaji
    13674-84-5 ACToR
    PD167504 ProbesDrugs
    3716672 eMolecules
    53836531 PubChem: Thomson Pharma
    SCHEMBL35713 SureChEMBL
    The data in this table is sourced from UniChem at EBI.