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 161.4
[M+Na]+ 318.00765 166.7
[M-H]- 294.01115 161.2
[M+NH4]+ 313.05225 174.5
[M+K]+ 333.98159 162.0
[M+H-H2O]+ 278.01569 155.2
[M+HCOO]- 340.01663 170.6
[M+CH3COO]- 354.03228 190.9
[M+Na-2H]- 315.99310 165.7
[M]+ 295.01788 163.3
[M]- 295.01898 163.3
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.