Dataset

HFPO-TA

This MassBank record with Accession MSBNK-Eawag-EQ01167254 contains the MS2 mass spectrum of HFPO-TA with the InChIkey OIVQVBDAMYDDEM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)
SMILES C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O
InChI Key OIVQVBDAMYDDEM-UHFFFAOYSA-N
Molecular Formula C9HF17O4
Exact Mass 495.960 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-EQ01167254
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:15:12.199398
MetadataModified 2025-02-09T10:15:12.372946
MetadataPublished 2024-05-15
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6176640 eMolecules
CHEMBL2008207 ChEMBL
15980293 PubChem: Thomson Pharma
96511-35-2 ACToR
13252-14-7 ACToR
SCHEMBL983173 SureChEMBL
J120.461K Nikkaji
CB2855839 ChemicalBook
DTXSID00892442 EPA CompTox Dashboard
93076 PubChem
The data in this table is sourced from UniChem at EBI.