CID 3849798

5-bromo-n-(4-cyanophenyl)-2-hydroxybenzamide

Structural Information

Molecular Formula
C14H9BrN2O2
SMILES
C1=CC(=CC=C1C#N)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C14H9BrN2O2/c15-10-3-6-13(18)12(7-10)14(19)17-11-4-1-9(8-16)2-5-11/h1-7,18H,(H,17,19)
InChIKey
BQHRPEUBRUDANE-UHFFFAOYSA-N
Compound name
5-bromo-N-(4-cyanophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.98474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.99202 165.1
[M+Na]+ 338.97396 177.7
[M-H]- 314.97746 170.6
[M+NH4]+ 334.01856 180.3
[M+K]+ 354.94790 164.2
[M+H-H2O]+ 298.98200 156.8
[M+HCOO]- 360.98294 184.3
[M+CH3COO]- 374.99859 211.6
[M+Na-2H]- 336.95941 169.4
[M]+ 315.98419 175.7
[M]- 315.98529 175.7
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

No patent data available for this compound.