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 159.6
[M+Na]+ 342.96886 169.9
[M-H]- 318.97236 169.0
[M+NH4]+ 338.01346 176.7
[M+K]+ 358.94280 158.5
[M+H-H2O]+ 302.97690 157.0
[M+HCOO]- 364.97784 183.2
[M+CH3COO]- 378.99349 206.1
[M+Na-2H]- 340.95431 166.2
[M]+ 319.97909 178.5
[M]- 319.98019 178.5
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

patents stripe