Dataset

Tris(2-chloroisopropyl)phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117119 contains the MS2 mass spectrum of Tris(2-chloroisopropyl)phosphate with the InChIkey KVMPUXDNESXNOH-UHFFFAOYSA-N.

Chemical Info

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-Antwerp_Univ-AN117119
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:47.829134
MetadataModified 2024-01-11T09:31:47.989580
MetadataPublished 2021-09-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26176 PubChem
DTXSID5026259 EPA CompTox Dashboard
143728 ChEBI
225949 Brenda
CB0221470 ChemicalBook
13674-84-5 ACToR
PD167504 ProbesDrugs
3716672 eMolecules
53836531 PubChem: Thomson Pharma
J50.405J Nikkaji
CHEMBL3188873 ChEMBL
CRT22GFY70 FDA SRS
SCHEMBL35713 SureChEMBL
The data in this table is sourced from UniChem at EBI.