Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H14F9N/c1-9-13(2,3)11-8-10(4-5-12(11)27-9)6-7-14(18,19)15(20,21)16(22,23)17(24,25)26/h4-8H,1-3H3/b7-6+
SMILES CC1=Nc2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI Key CKIZWXHHPDAWDC-VOTSOKGWSA-N
Molecular Formula C17H14F9N
Exact Mass 403.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-11-06
Related Molecule
  • 2,3,3-trimethyl-5-[(E)-3,3,4,4,5,5,6,6,6-nonafluorohex-1-enyl]indole
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139592019 PubChem
    The data in this table is sourced from UniChem at EBI.