Dataset

Bis(2-chloroethyl) phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN119101 contains the MS2 mass spectrum of Bis(2-chloroethyl) phosphate with the InChIkey PMGHIGLOERPWGC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C4H9Cl2O4P/c5-1-3-9-11(7,8)10-4-2-6/h1-4H2,(H,7,8)
SMILES C(CCl)OP(=O)(O)OCCCl
InChI Key PMGHIGLOERPWGC-UHFFFAOYSA-N
Molecular Formula C4H9Cl2O4P
Exact Mass 221.962 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN119101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:01.535270
MetadataModified 2024-01-11T09:31:01.695306
MetadataPublished 2021-08-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3040-56-0 ACToR
9QN9Y6ZFZC FDA SRS
J205.349G Nikkaji
SCHEMBL4906432 SureChEMBL
ZINC000005178731 ZINC
166471 ChEBI
DTXSID50184485 EPA CompTox Dashboard
76438 PubChem
The data in this table is sourced from UniChem at EBI.