Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H11F2NO2/c1-3-17-11(16)12(13,14)10-5-4-9(7-15)6-8(10)2/h4-6H,3H2,1-2H3
SMILES CCOC(=O)C(c1ccc(cc1C)C#N)(F)F
InChI Key YPBAFCPTVOGRGB-UHFFFAOYSA-N
Molecular Formula C12H11F2NO2
Exact Mass 239.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPBAFCPTVOGRGB-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/YPBAFCPTVOGRGB-UHFFFAOYSA-N/Mass/EI
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:39:44.518575
MetadataModified 2024-09-07T12:55:52.036511
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73427446 PubChem
ZINC000210533199 ZINC
J3.173.624B Nikkaji
The data in this table is sourced from UniChem at EBI.