Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

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

Chemical Info

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
MetadataCreated 2024-09-07T03:14:14.829229
MetadataModified 2024-09-07T18:03:51.266374
MetadataPublished 2020-05-07
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.