CID 3011456

3-fluoro-n-(6-hydroxy-2-pyridyl)benzamide

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=CC=CC(=O)N2
InChI
InChI=1S/C12H9FN2O2/c13-9-4-1-3-8(7-9)12(17)15-10-5-2-6-11(16)14-10/h1-7H,(H2,14,15,16,17)
InChIKey
VQWUCSFHIXSDPH-UHFFFAOYSA-N
Compound name
3-fluoro-N-(6-oxo-1H-pyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.0648 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07208 147.2
[M+Na]+ 255.05402 155.6
[M-H]- 231.05752 150.5
[M+NH4]+ 250.09862 162.6
[M+K]+ 271.02796 150.9
[M+H-H2O]+ 215.06206 138.5
[M+HCOO]- 277.06300 169.3
[M+CH3COO]- 291.07865 188.7
[M+Na-2H]- 253.03947 153.1
[M]+ 232.06425 144.0
[M]- 232.06535 144.0
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

No patent data available for this compound.