CID 3011446

5-chloro-2-hydroxy-n-(pyridin-4-yl)benzamide

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC(=C(C=C1Cl)C(=O)NC2=CC=NC=C2)O
InChI
InChI=1S/C12H9ClN2O2/c13-8-1-2-11(16)10(7-8)12(17)15-9-3-5-14-6-4-9/h1-7,16H,(H,14,15,17)
InChIKey
GOFGQNJZBLJUBR-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-pyridin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

248.03525 Da
Monoisotopic Mass

3.3
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

patents stripe