CID 210648

Brn 0920539

Structural Information

Molecular Formula
C13H9BrN2O3
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)Br
InChI
InChI=1S/C13H9BrN2O3/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19/h1-7,17H,(H,18,19)
InChIKey
GNACUIMUGYAZMR-UHFFFAOYSA-N
Compound name
5-[(4-bromophenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.97964 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.98692 160.4
[M+Na]+ 342.96886 163.8
[M+NH4]+ 338.01346 164.1
[M+K]+ 358.94280 163.8
[M-H]- 318.97236 163.0
[M+Na-2H]- 340.95431 165.3
[M]+ 319.97909 160.3
[M]- 319.98019 160.3
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.