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

5
Patents

249.01295 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.020226 149.6
[M+Na]+ 272.002168 157.0
[M-H]- 248.005674 153.1
[M+NH4]+ 267.046773 166.6
[M+K]+ 287.976108 153.9
[M+H-H2O]+ 232.010210 143.4
[M+HCOO]- 294.011151 161.8
[M+CH3COO]- 308.026801 190.7
[M+Na-2H]- 269.987616 151.8
[M]+ 249.01240142 153.2
[M]- 249.01349858 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.