CID 773637

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

Structural Information

Molecular Formula
C12H9FN2O
SMILES
C1=CC(=CC(=C1)F)C(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H9FN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1-8H,(H,15,16)
InChIKey
ZITBGGJTKXRPNU-UHFFFAOYSA-N
Compound name
3-fluoro-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

216.06989 Da
Monoisotopic Mass

1.8
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