CID 101264

5-fluoronicotinamide

Structural Information

Molecular Formula
C6H5FN2O
SMILES
C1=C(C=NC=C1F)C(=O)N
InChI
InChI=1S/C6H5FN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
InChIKey
GCDSJMZGWCQCRU-UHFFFAOYSA-N
Compound name
5-fluoropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

197
Patents

140.03859 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.045866 123.6
[M+Na]+ 163.027808 132.5
[M-H]- 139.031314 124.7
[M+NH4]+ 158.072413 143.4
[M+K]+ 179.001748 130.7
[M+H-H2O]+ 123.035850 116.5
[M+HCOO]- 185.036791 146.7
[M+CH3COO]- 199.052441 174.8
[M+Na-2H]- 161.013256 130.3
[M]+ 140.03804142 120.5
[M]- 140.03913858 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe