CID 91364

25264-32-8

Structural Information

Molecular Formula
C9H13NO5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCCS(=O)(=O)O
InChI
InChI=1S/C9H13NO5S2/c11-16(12,13)8-4-7-10-17(14,15)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,11,12,13)
InChIKey
YCRMRUNWKZVLOR-UHFFFAOYSA-N
Compound name
3-(benzenesulfonamido)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.02353 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03081 160.2
[M+Na]+ 302.01275 167.7
[M+NH4]+ 297.05735 165.4
[M+K]+ 317.98669 161.1
[M-H]- 278.01625 158.6
[M+Na-2H]- 299.99820 163.2
[M]+ 279.02298 161.4
[M]- 279.02408 161.4
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

No patent data available for this compound.