Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H4F3IO2/c9-8(10,11)12-6-4-2-1-3-5(6)7(13)14-12/h1-4H
SMILES O=C1O[I](c2c1cccc2)C(F)(F)F
InChI Key XHEOXSQMBWJOKP-UHFFFAOYSA-N
Molecular Formula C8H4F3IO2
Exact Mass 316.016 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XHEOXSQMBWJOKP-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/XHEOXSQMBWJOKP-UHFFFAOYSA-N/Mass
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:07:31.351440
MetadataModified 2024-09-07T15:08:42.187790
MetadataPublished 2019-05-20
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB12603183 ChemicalBook
DTXSID10647708 EPA CompTox Dashboard
50079945 PubChem: Thomson Pharma
36096131 eMolecules
24850981 PubChem
J2.588.655K Nikkaji
SCHEMBL2360262 SureChEMBL
DHY074A7WG FDA SRS
IXOKAH CCDC
The data in this table is sourced from UniChem at EBI.