Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C25H19BrF3NO4/c1-12-9-18-20(31)15-5-3-4-6-16(15)21(32)24(18,11-13(12)2)22(33)17-10-14(7-8-19(17)26)30-23(34)25(27,28)29/h3-8,10,18H,9,11H2,1-2H3,(H,30,34)
SMILES O=C(C(F)(F)F)Nc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br
InChI Key LWPRQCGBQORNHS-UHFFFAOYSA-N
Molecular Formula C25H19BrF3NO4
Exact Mass 534.322 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LWPRQCGBQORNHS-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/LWPRQCGBQORNHS-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[4-bromo-3-(2,3-dimethyl-9,10-dioxo-4,9a-dihydro-1H-anthracene-4a-carbonyl)phenyl]-2,2,2-trifluoroacetamide
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035820 PubChem
    The data in this table is sourced from UniChem at EBI.