Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C41H23F17N6O3/c42-34(43,35(44,45)36(46,47)37(48,49)38(50,51)39(52,53)40(54,55)41(56,57)58)17-20-19-66-33(67-20)32-30(62-25-11-5-6-12-26(25)64-32)16-15-28-27(59-21-7-1-2-8-22(21)60-28)13-14-29-31(18-65)63-24-10-4-3-9-23(24)61-29/h1-16,18,20,33H,17,19H2/b14-13+,16-15+
SMILES O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key MKIBBHSNDASGGI-ZBMVRHCNSA-N
Molecular Formula C41H23F17N6O3
Exact Mass 970.633 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MKIBBHSNDASGGI-ZBMVRHCNSA-N/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 3-[(E)-2-[3-[(E)-2-[3-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    163197185 PubChem
    The data in this table is sourced from UniChem at EBI.