Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H9BrF3NO4/c20-14-6-5-9(24-18(28)19(21,22)23)7-12(14)17(27)13-8-15(25)10-3-1-2-4-11(10)16(13)26/h1-8H,(H,24,28)
SMILES O=C(C(F)(F)F)Nc1ccc(c(c1)C(=O)C1=CC(=O)c2c(C1=O)cccc2)Br
InChI Key YREQDOIZJYONFU-UHFFFAOYSA-N
Molecular Formula C19H9BrF3NO4
Exact Mass 452.178 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YREQDOIZJYONFU-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/YREQDOIZJYONFU-UHFFFAOYSA-N/CHMO0000473
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[4-bromo-3-(1,4-dioxonaphthalene-2-carbonyl)phenyl]-2,2,2-trifluoroacetamide
    • Field Value
    Measurement Technique atmospheric pressure chemical ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035823 PubChem
    The data in this table is sourced from UniChem at EBI.