CID 19980657

2,2'-disulfonatoazobenzene

Structural Information

Molecular Formula
C12H10N2O6S2
SMILES
C1=CC=C(C(=C1)N=NC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H10N2O6S2/c15-21(16,17)11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)22(18,19)20/h1-8H,(H,15,16,17)(H,18,19,20)
InChIKey
APPAXLRBULXMAH-UHFFFAOYSA-N
Compound name
2-[(2-sulfophenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe