Dataset

Tetrekis(2-chlorethyl) dichloroisopentyldiphosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN118806 contains the MS2 mass spectrum of Tetrekis(2-chlorethyl) dichloroisopentyldiphosphate with the InChIkey ZGHUDSLVQAGWEY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2
SMILES C(CCl)OP(=O)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl
InChI Key ZGHUDSLVQAGWEY-UHFFFAOYSA-N
Molecular Formula C13H24Cl6O8P2
Exact Mass 579.908 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN118806
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:36.975222
MetadataModified 2024-01-11T09:32:37.118142
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB9919893 ChemicalBook
38051-10-4 ACToR
122728-21-6 ACToR
6LVB71K8TQ FDA SRS
SCHEMBL340340 SureChEMBL
ZINC000095803363 ZINC
J261.291G Nikkaji
DTXSID8028000 EPA CompTox Dashboard
92310 PubChem
The data in this table is sourced from UniChem at EBI.