CID 3011462

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

Structural Information

Molecular Formula
C12H9BrN2O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)NC2=CC=CC(=O)N2
InChI
InChI=1S/C12H9BrN2O2/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
MVBLCZUWUFFXLZ-UHFFFAOYSA-N
Compound name
3-bromo-N-(6-oxo-1H-pyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.98474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99202 153.2
[M+Na]+ 314.97396 163.9
[M-H]- 290.97746 160.1
[M+NH4]+ 310.01856 169.9
[M+K]+ 330.94790 151.3
[M+H-H2O]+ 274.98200 151.5
[M+HCOO]- 336.98294 173.7
[M+CH3COO]- 350.99859 195.7
[M+Na-2H]- 312.95941 160.5
[M]+ 291.98419 169.8
[M]- 291.98529 169.8
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.