Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H8Br2FN5/c17-11-5-13-14(6-12(11)18)21-16(7-20-13)24-8-15(22-23-24)9-1-3-10(19)4-2-9/h1-8H
SMILES Fc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cc(c(c2)Br)Br
InChI Key YIWVXUFWXSUZKW-UHFFFAOYSA-N
Molecular Formula C16H8Br2FN5
Exact Mass 449.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/YIWVXUFWXSUZKW-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-15T03:10:09.999001
MetadataModified 2025-03-16T03:10:12.483883
MetadataPublished 2025-03-14
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