CID 3011455

3-fluoro-n-(5-methylpyridin-2-yl)benzamide

Structural Information

Molecular Formula
C13H11FN2O
SMILES
CC1=CN=C(C=C1)NC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H11FN2O/c1-9-5-6-12(15-8-9)16-13(17)10-3-2-4-11(14)7-10/h2-8H,1H3,(H,15,16,17)
InChIKey
NBCUBHUBNSKBFB-UHFFFAOYSA-N
Compound name
3-fluoro-N-(5-methylpyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

230.08554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09282 149.1
[M+Na]+ 253.07476 157.3
[M-H]- 229.07826 153.5
[M+NH4]+ 248.11936 165.4
[M+K]+ 269.04870 153.3
[M+H-H2O]+ 213.08280 140.0
[M+HCOO]- 275.08374 171.9
[M+CH3COO]- 289.09939 192.8
[M+Na-2H]- 251.06021 154.9
[M]+ 230.08499 147.3
[M]- 230.08609 147.3
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