CID 5274901

N-(3-fluorophenyl)-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula
C12H9FN2OS
SMILES
C1=CC(=CC(=C1)F)NC(=O)C2=C(C=CC=N2)S
InChI
InChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)15-12(16)11-10(17)5-2-6-14-11/h1-7,17H,(H,15,16)
InChIKey
SAWYQEKMGTYDIM-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.04196 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04924 150.5
[M+Na]+ 271.03118 159.4
[M-H]- 247.03468 155.2
[M+NH4]+ 266.07578 166.7
[M+K]+ 287.00512 154.5
[M+H-H2O]+ 231.03922 141.8
[M+HCOO]- 293.04016 168.5
[M+CH3COO]- 307.05581 193.5
[M+Na-2H]- 269.01663 154.0
[M]+ 248.04141 150.7
[M]- 248.04251 150.7
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.