Dataset

Tris(1,3-dichloro-2-propyl)phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN117308 contains the MS2 mass spectrum of Tris(1,3-dichloro-2-propyl)phosphate with the InChIkey ASLWPAWFJZFCKF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
SMILES C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
InChI Key ASLWPAWFJZFCKF-UHFFFAOYSA-N
Molecular Formula C9H15Cl6O4P
Exact Mass 427.884 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN117308
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:25.120705
MetadataModified 2024-01-11T09:35:25.401700
MetadataPublished 2021-09-04
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID9026261 EPA CompTox Dashboard
ZINC000002019519 ZINC
143729 ChEBI
225944 Brenda
CB5194948 ChemicalBook
B1PRV4G0T0 FDA SRS
26177 PubChem
HY-108712 MedChemExpress
HMDB0244565 Human Metabolome Database
J640H Nikkaji
CHEMBL3182032 ChEMBL
13674-87-8 ACToR
PD102521 ProbesDrugs
3716674 eMolecules
SCHEMBL333198 SureChEMBL
20097640 NMRShiftDB
The data in this table is sourced from UniChem at EBI.