Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C9H6BrF3/c10-8-4-2-1-3-7(8)5-6-9(11,12)13/h1-6H/b6-5+
SMILES Brc1ccccc1/C=C/C(F)(F)F
InChI Key YMRCGKMNQQSELL-AATRIKPKSA-N
Molecular Formula C9H6BrF3
Exact Mass 251.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMRCGKMNQQSELL-AATRIKPKSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/YMRCGKMNQQSELL-AATRIKPKSA-N/Mass/EI
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:32:07.233232
MetadataModified 2024-09-07T12:44:34.894161
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.371.189A Nikkaji
ZINC000204759580 ZINC
73427433 PubChem
J3.009.776I Nikkaji
The data in this table is sourced from UniChem at EBI.