CID 410263

N-sulfanilylsulfanilic acid

Structural Information

Molecular Formula
C12H12N2O5S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C12H12N2O5S2/c13-9-1-5-11(6-2-9)20(15,16)14-10-3-7-12(8-4-10)21(17,18)19/h1-8,14H,13H2,(H,17,18,19)
InChIKey
JYPXJELCOVLQJZ-UHFFFAOYSA-N
Compound name
4-[(4-aminophenyl)sulfonylamino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

328.01877 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02605 169.9
[M+Na]+ 351.00799 177.2
[M-H]- 327.01149 174.2
[M+NH4]+ 346.05259 182.1
[M+K]+ 366.98193 170.9
[M+H-H2O]+ 311.01603 162.6
[M+HCOO]- 373.01697 182.2
[M+CH3COO]- 387.03262 202.3
[M+Na-2H]- 348.99344 175.3
[M]+ 328.01822 170.4
[M]- 328.01932 170.4
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