CID 5274879

Chembl3892341

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C1=CC(=C(N=C1)C(=O)NC2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H9FN2O2/c13-8-3-5-9(6-4-8)15-12(17)11-10(16)2-1-7-14-11/h1-7,16H,(H,15,17)
InChIKey
XCZBGOGZMPZPRK-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.0648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07208 147.9
[M+Na]+ 255.05402 156.0
[M-H]- 231.05752 151.2
[M+NH4]+ 250.09862 163.3
[M+K]+ 271.02796 151.9
[M+H-H2O]+ 215.06206 139.1
[M+HCOO]- 277.06300 169.8
[M+CH3COO]- 291.07865 189.5
[M+Na-2H]- 253.03947 153.8
[M]+ 232.06425 145.4
[M]- 232.06535 145.4
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.