CID 110061

68334-66-7

Structural Information

Molecular Formula
C7H5NO6S2
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)O)C(=O)NS2(=O)=O
InChI
InChI=1S/C7H5NO6S2/c9-7-6-4(15(10,11)8-7)2-1-3-5(6)16(12,13)14/h1-3H,(H,8,9)(H,12,13,14)
InChIKey
YTFXRXPSWMORAW-UHFFFAOYSA-N
Compound name
1,1,3-trioxo-1,2-benzothiazole-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.95584 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96312 154.5
[M+Na]+ 285.94506 163.0
[M+NH4]+ 280.98966 161.0
[M+K]+ 301.91900 156.9
[M-H]- 261.94856 151.5
[M+Na-2H]- 283.93051 156.8
[M]+ 262.95529 155.5
[M]- 262.95639 155.5
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.