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/C21H15BrF3NO4/c1-29-17-10-15(19(30-2)13-6-4-3-5-12(13)17)18(27)14-9-11(7-8-16(14)22)26-20(28)21(23,24)25/h3-10H,1-2H3,(H,26,28)
SMILES COc1c(cc(c2c1cccc2)OC)C(=O)c1cc(ccc1Br)NC(=O)C(F)(F)F
InChI Key IOGOYECUJCGPGG-UHFFFAOYSA-N
Molecular Formula C21H15BrF3NO4
Exact Mass 482.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IOGOYECUJCGPGG-UHFFFAOYSA-N/CHMO0000473
License URL
Source https://www.chemotion-repository.net/inchikey/IOGOYECUJCGPGG-UHFFFAOYSA-N/CHMO0000473
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • N-[4-bromo-3-(1,4-dimethoxynaphthalene-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
    146035841 PubChem
    UYUDUQ CCDC
    The data in this table is sourced from UniChem at EBI.