Dataset

1,1,1-TRIFLUOROACETONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011766 contains the MS mass spectrum of 1,1,1-TRIFLUOROACETONE with the InChIkey FHUDAMLDXFJHJE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3
SMILES CC(=O)C(F)(F)F
InChI Key FHUDAMLDXFJHJE-UHFFFAOYSA-N
Molecular Formula C3H3F3O
Exact Mass 112.014 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-JP011766
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:48.818300
MetadataModified 2025-02-09T12:48:16.698420
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL16821 SureChEMBL
9871 PubChem
10016766 NMRShiftDB
MCULE-2923472378 Mcule
J48E Nikkaji
W6X PDBe
ZINC000001693867 ZINC
K987U5C2CX FDA SRS
198123 BindingDB
DTXSID9059963 EPA CompTox Dashboard
104135 Brenda
532708 eMolecules
196534 BindingDB
78496 Brenda
CB4123453 ChemicalBook
421-50-1 ACToR
15119756 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.