CID 165691879

6-fluoro-n-(thietan-3-yl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C9H9FN2OS
SMILES
C1C(CS1)NC(=O)C2=CN=C(C=C2)F
InChI
InChI=1S/C9H9FN2OS/c10-8-2-1-6(3-11-8)9(13)12-7-4-14-5-7/h1-3,7H,4-5H2,(H,12,13)
InChIKey
UAOZWLJQDIAIQA-UHFFFAOYSA-N
Compound name
6-fluoro-N-(thietan-3-yl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.04196 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04924 138.8
[M+Na]+ 235.03118 144.1
[M-H]- 211.03468 142.4
[M+NH4]+ 230.07578 149.5
[M+K]+ 251.00512 144.3
[M+H-H2O]+ 195.03922 124.5
[M+HCOO]- 257.04016 154.2
[M+CH3COO]- 271.05581 189.0
[M+Na-2H]- 233.01663 141.2
[M]+ 212.04141 145.5
[M]- 212.04251 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.