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

literature stripe

Patent stripe

patents stripe