CID 2858778

325850-98-4

Structural Information

Molecular Formula
C11H13NO6S2
SMILES
C1CS(=O)(=O)CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO6S2/c13-11(14)8-1-3-10(4-2-8)20(17,18)12-9-5-6-19(15,16)7-9/h1-4,9,12H,5-7H2,(H,13,14)
InChIKey
PANIHRKSOILEGJ-UHFFFAOYSA-N
Compound name
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.01843 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.02571 167.5
[M+Na]+ 342.00765 174.6
[M-H]- 318.01115 172.3
[M+NH4]+ 337.05225 184.4
[M+K]+ 357.98159 170.5
[M+H-H2O]+ 302.01569 163.0
[M+HCOO]- 364.01663 178.8
[M+CH3COO]- 378.03228 196.5
[M+Na-2H]- 339.99310 170.2
[M]+ 319.01788 169.5
[M]- 319.01898 169.5
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.