CID 114287104

Sodium 4-(dimethylsulfamoyl)benzene-1-sulfinate

Structural Information

Molecular Formula
C8H11NO4S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)O
InChI
InChI=1S/C8H11NO4S2/c1-9(2)15(12,13)8-5-3-7(4-6-8)14(10)11/h3-6H,1-2H3,(H,10,11)
InChIKey
OIARXERQZANABT-UHFFFAOYSA-N
Compound name
4-(dimethylsulfamoyl)benzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.01295 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02023 149.6
[M+Na]+ 272.00217 157.0
[M-H]- 248.00567 153.1
[M+NH4]+ 267.04677 166.6
[M+K]+ 287.97611 153.9
[M+H-H2O]+ 232.01021 143.4
[M+HCOO]- 294.01115 161.8
[M+CH3COO]- 308.02680 190.7
[M+Na-2H]- 269.98762 151.8
[M]+ 249.01240 153.2
[M]- 249.01350 153.2
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.