CID 828162

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

Structural Information

Molecular Formula
C12H9ClN2O
SMILES
C1=CC=NC(=C1)NC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H9ClN2O/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
AKAYBXSRQYUJHF-UHFFFAOYSA-N
Compound name
3-chloro-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

232.04034 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04762 147.9
[M+Na]+ 255.02956 156.3
[M-H]- 231.03306 153.3
[M+NH4]+ 250.07416 164.8
[M+K]+ 271.00350 151.2
[M+H-H2O]+ 215.03760 140.5
[M+HCOO]- 277.03854 167.5
[M+CH3COO]- 291.05419 189.8
[M+Na-2H]- 253.01501 155.2
[M]+ 232.03979 148.7
[M]- 232.04089 148.7
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