Dataset

HEXAFLUOROISOPROPANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011611 contains the MS mass spectrum of HEXAFLUOROISOPROPANOL with the InChIkey BYEAHWXPCBROCE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
SMILES OC(C(F)(F)F)C(F)(F)F
InChI Key BYEAHWXPCBROCE-UHFFFAOYSA-N
Molecular Formula C3H2F6O
Exact Mass 168.001 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP011611
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,1,1,3,3,3-hexafluoropropan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0251828 ChemicalBook
    REKJOH CCDC
    J50.987F Nikkaji
    MCULE-4865132613 Mcule
    DTXSID1022134 EPA CompTox Dashboard
    CFH PDBe
    63104 ChEBI
    MTBLC63104 Metabolights
    CB3251829 ChemicalBook
    ZINC000003860857 ZINC
    HMDB0060648 Human Metabolome Database
    3D632GYQ50 FDA SRS
    SCHEMBL199 SureChEMBL
    20144693 NMRShiftDB
    15120410 PubChem: Thomson Pharma
    CHEMBL1231750 ChEMBL
    29463-77-2 ACToR
    920-66-1 ACToR
    13529 PubChem
    477985 eMolecules
    The data in this table is sourced from UniChem at EBI.