CID 168962

4,4'-azobis(benzenesulfonic acid)

Structural Information

Molecular Formula
C12H10N2O6S2
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H10N2O6S2/c15-21(16,17)11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)
InChIKey
BITYYJJEVOSYCE-UHFFFAOYSA-N
Compound name
4-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

341.99802 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00530 173.2
[M+Na]+ 364.98724 181.0
[M-H]- 340.99074 179.6
[M+NH4]+ 360.03184 185.6
[M+K]+ 380.96118 175.9
[M+H-H2O]+ 324.99528 165.4
[M+HCOO]- 386.99622 188.0
[M+CH3COO]- 401.01187 205.8
[M+Na-2H]- 362.97269 180.3
[M]+ 341.99747 177.1
[M]- 341.99857 177.1
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

patents stripe