CID 823591

3-fluoro-n-(pyridin-2-yl)benzamide

Structural Information

Molecular Formula
C12H9FN2O
SMILES
C1=CC=NC(=C1)NC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C12H9FN2O/c13-10-5-3-4-9(8-10)12(16)15-11-6-1-2-7-14-11/h1-8H,(H,14,15,16)
InChIKey
UVGVHCSGRJZARS-UHFFFAOYSA-N
Compound name
3-fluoro-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

216.06989 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07717 144.4
[M+Na]+ 239.05911 152.1
[M-H]- 215.06261 148.6
[M+NH4]+ 234.10371 160.9
[M+K]+ 255.03305 148.2
[M+H-H2O]+ 199.06715 135.3
[M+HCOO]- 261.06809 167.5
[M+CH3COO]- 275.08374 188.7
[M+Na-2H]- 237.04456 151.5
[M]+ 216.06934 141.9
[M]- 216.07044 141.9
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.