CID 106268

67969-90-8

Structural Information

Molecular Formula
C12H9N4O3S
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)[N+]#N
InChI
InChI=1S/C12H8N4O3S/c13-14-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)20(17,18)19/h1-8H/p+1
InChIKey
SKERSVOOCUCYLU-UHFFFAOYSA-O
Compound name
4-[(4-sulfophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.03955 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04683 174.7
[M+Na]+ 312.02877 184.5
[M-H]- 288.03227 183.2
[M+NH4]+ 307.07337 188.5
[M+K]+ 328.00271 176.2
[M+H-H2O]+ 272.03681 162.1
[M+HCOO]- 334.03775 194.8
[M+CH3COO]- 348.05340 209.8
[M+Na-2H]- 310.01422 182.6
[M]+ 289.03900 171.3
[M]- 289.04010 171.3
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.