CID 348575

6-fluoropyridine-3-carboxamide

Structural Information

Molecular Formula
C6H5FN2O
SMILES
C1=CC(=NC=C1C(=O)N)F
InChI
InChI=1S/C6H5FN2O/c7-5-2-1-4(3-9-5)6(8)10/h1-3H,(H2,8,10)
InChIKey
PGBXHSHENWASTH-UHFFFAOYSA-N
Compound name
6-fluoropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

140.03859 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04587 123.6
[M+Na]+ 163.02781 132.5
[M-H]- 139.03131 124.7
[M+NH4]+ 158.07241 143.4
[M+K]+ 179.00175 130.7
[M+H-H2O]+ 123.03585 116.5
[M+HCOO]- 185.03679 146.7
[M+CH3COO]- 199.05244 174.8
[M+Na-2H]- 161.01326 130.3
[M]+ 140.03804 120.5
[M]- 140.03914 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