Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H10F3N3O/c16-15(17,18)11-8-4-7-10-12(11)20-21-13(10)19-14(22)9-5-2-1-3-6-9/h1-8H,(H2,19,20,21,22)
SMILES O=C(c1ccccc1)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key CGYIQHKSVDLZHA-UHFFFAOYSA-N
Molecular Formula C15H10F3N3O
Exact Mass 305.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CGYIQHKSVDLZHA-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/CGYIQHKSVDLZHA-UHFFFAOYSA-N/Mass/EI.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:32:24.063481
MetadataModified 2024-09-07T14:04:39.371541
MetadataPublished 2015-05-28
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44155927 PubChem
85155812 PubChem: Thomson Pharma
J2.785.625J Nikkaji
FUQYIA CCDC
The data in this table is sourced from UniChem at EBI.