Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H14F9N/c1-9-13(2,3)11-8-10(4-5-12(11)27-9)6-7-14(18,19)15(20,21)16(22,23)17(24,25)26/h4-8H,1-3H3/b7-6+
SMILES CC1=Nc2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI Key CKIZWXHHPDAWDC-VOTSOKGWSA-N
Molecular Formula C17H14F9N
Exact Mass 403.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/CKIZWXHHPDAWDC-VOTSOKGWSA-N/Mass
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:48:48.774390
MetadataModified 2024-09-07T16:09:12.921950
MetadataPublished 2019-11-06
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
139592019 PubChem
The data in this table is sourced from UniChem at EBI.