CID 135599792

72152-89-7

Structural Information

Molecular Formula
C13H9N4O3
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+]#N
InChI
InChI=1S/C13H8N4O3/c14-15-8-1-3-9(4-2-8)16-17-10-5-6-12(18)11(7-10)13(19)20/h1-7H,(H-,16,18,19,20)/p+1
InChIKey
INMMBAGVCXFDIH-UHFFFAOYSA-O
Compound name
4-[(3-carboxy-4-hydroxyphenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06747 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07475 162.7
[M+Na]+ 292.05669 175.7
[M+NH4]+ 287.10129 167.0
[M+K]+ 308.03063 167.3
[M-H]- 268.06019 161.5
[M+Na-2H]- 290.04214 168.8
[M]+ 269.06692 163.5
[M]- 269.06802 163.5
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

No patent data available for this compound.