Dataset

Tris(2-chloropropyl) phosphate

This MassBank record with Accession MSBNK-Eawag-EQ00326608 contains the MS2 mass spectrum of Tris(2-chloropropyl) phosphate with the InChIkey GTRSAMFYSUBAGN-UHFFFAOYSA-N.

Chemical Info

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

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00326608
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:05:28.093862
MetadataModified 2025-02-09T10:05:28.264280
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J227.331D Nikkaji
CHEMBL3182409 ChEMBL
HMDB0259277 Human Metabolome Database
DTXSID3027615 EPA CompTox Dashboard
N90B627VHY FDA SRS
CB5915448 ChemicalBook
22522 PubChem
20200220 NMRShiftDB
SCHEMBL25060 SureChEMBL
101551-02-4 ACToR
6145-73-9 ACToR
16585760 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.