CID 44152327

70788-51-1

Structural Information

Molecular Formula
C9H13NO6S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCC(CS(=O)(=O)O)O
InChI
InChI=1S/C9H13NO6S2/c11-8(7-17(12,13)14)6-10-18(15,16)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,12,13,14)
InChIKey
GTGZCILJLUICCY-UHFFFAOYSA-N
Compound name
3-(benzenesulfonamido)-2-hydroxypropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.01843 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02571 161.9
[M+Na]+ 318.00765 168.0
[M+NH4]+ 313.05225 166.0
[M+K]+ 333.98159 163.2
[M-H]- 294.01115 159.1
[M+Na-2H]- 315.99310 163.9
[M]+ 295.01788 162.4
[M]- 295.01898 162.4
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.