Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H2F6N2O6S2/c11-9(12,13)25(19,20)23-7-1-2-8(6(4-18)5(7)3-17)24-26(21,22)10(14,15)16/h1-2H
SMILES N#Cc1c(ccc(c1C#N)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI Key FCAPKPPCJBYHEC-UHFFFAOYSA-N
Molecular Formula C10H2F6N2O6S2
Exact Mass 424.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FCAPKPPCJBYHEC-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/FCAPKPPCJBYHEC-UHFFFAOYSA-N/CHMO0000156
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-08T03:06:39.976738
MetadataModified 2025-03-09T03:15:52.387933
MetadataPublished 2025-03-07
Related Molecule
Field Value
Measurement Technique X-ray diffraction
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3627292 SureChEMBL
16368629 PubChem: Thomson Pharma
11281687 PubChem
J2.742.395G Nikkaji
WUJKIX CCDC
The data in this table is sourced from UniChem at EBI.