CID 3011445

5-chloro-2-hydroxy-n-pyridin-3-ylbenzamide

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=CN=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C12H9ClN2O2/c13-8-3-4-11(16)10(6-8)12(17)15-9-2-1-5-14-7-9/h1-7,16H,(H,15,17)
InChIKey
PHRCJJDVUZDVCX-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

248.03525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.042526 151.0
[M+Na]+ 271.024468 159.8
[M-H]- 247.027974 155.5
[M+NH4]+ 266.069073 166.8
[M+K]+ 286.998408 154.5
[M+H-H2O]+ 231.032510 144.0
[M+HCOO]- 293.033451 169.4
[M+CH3COO]- 307.049101 190.5
[M+Na-2H]- 269.009916 157.1
[M]+ 248.03470142 151.8
[M]- 248.03579858 151.8
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

No patent data available for this compound.