CID 19024203

Benzenesulfonic acid, 4,4'-iminobis-

Structural Information

Molecular Formula
C12H11NO6S2
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C12H11NO6S2/c14-20(15,16)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)21(17,18)19/h1-8,13H,(H,14,15,16)(H,17,18,19)
InChIKey
OLEIVHSFVWPUFU-UHFFFAOYSA-N
Compound name
4-(4-sulfoanilino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

329.00278 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01006 169.4
[M+Na]+ 351.99200 176.9
[M-H]- 327.99550 173.1
[M+NH4]+ 347.03660 181.4
[M+K]+ 367.96594 171.0
[M+H-H2O]+ 312.00004 162.7
[M+HCOO]- 374.00098 180.3
[M+CH3COO]- 388.01663 197.6
[M+Na-2H]- 349.97745 175.1
[M]+ 329.00223 171.4
[M]- 329.00333 171.4
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