CID 3011466

3-chloro-n-(6-hydroxy-2-pyridyl)benzamide

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=CC(=O)N2
InChI
InChI=1S/C12H9ClN2O2/c13-9-4-1-3-8(7-9)12(17)15-10-5-2-6-11(16)14-10/h1-7H,(H2,14,15,16,17)
InChIKey
NJMRINGFUZYVBI-UHFFFAOYSA-N
Compound name
3-chloro-N-(6-oxo-1H-pyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 150.6
[M+Na]+ 271.02447 159.7
[M-H]- 247.02797 155.0
[M+NH4]+ 266.06907 166.3
[M+K]+ 286.99841 153.7
[M+H-H2O]+ 231.03251 143.6
[M+HCOO]- 293.03345 169.1
[M+CH3COO]- 307.04910 189.8
[M+Na-2H]- 269.00992 156.6
[M]+ 248.03470 150.7
[M]- 248.03580 150.7
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.