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

40
Patents

217.02312 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03040 142.9
[M+Na]+ 240.01234 151.5
[M-H]- 216.01584 148.1
[M+NH4]+ 235.05694 162.5
[M+K]+ 255.98628 148.5
[M+H-H2O]+ 200.02038 136.8
[M+HCOO]- 262.02132 157.1
[M+CH3COO]- 276.03697 189.0
[M+Na-2H]- 237.99779 145.9
[M]+ 217.02257 147.0
[M]- 217.02367 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