CID 23092584

18325-52-5

Structural Information

Molecular Formula
C8H11NO2S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)S
InChI
InChI=1S/C8H11NO2S2/c1-9(2)13(10,11)8-5-3-7(12)4-6-8/h3-6,12H,1-2H3
InChIKey
VTIKXMBORKZRBB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

217.02312 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.030396 142.9
[M+Na]+ 240.012338 151.5
[M-H]- 216.015844 148.1
[M+NH4]+ 235.056943 162.5
[M+K]+ 255.986278 148.5
[M+H-H2O]+ 200.020380 136.8
[M+HCOO]- 262.021321 157.1
[M+CH3COO]- 276.036971 189.0
[M+Na-2H]- 237.997786 145.9
[M]+ 217.02257142 147.0
[M]- 217.02366858 147.0
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

patents stripe