Dataset

2-(TRIFLUOROMETHYL)CINNAMIC ACID; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011253 contains the MS mass spectrum of 2-(TRIFLUOROMETHYL)CINNAMIC ACID with the InChIkey AMVYAIXPAGBXOM-AATRIKPKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
SMILES OC(=O)C=Cc(c1)c(ccc1)C(F)(F)F
InChI Key AMVYAIXPAGBXOM-AATRIKPKSA-N
Molecular Formula C10H7F3O2
Exact Mass 216.040 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-JP011253
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MetadataPublished 2016-01-19
Related Molecule
  • (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85242296 PubChem: Thomson Pharma
    2062-25-1 ACToR
    490408 eMolecules
    20212876 NMRShiftDB
    SCHEMBL82266 SureChEMBL
    60703 ChEBI
    CB4366823 ChemicalBook
    719625 PubChem
    J236.227I Nikkaji
    J308.038B Nikkaji
    ZINC000000120060 ZINC
    MCULE-2692181820 Mcule
    227722 Brenda
    The data in this table is sourced from UniChem at EBI.