CID 4153326

3-benzenesulfonyl-2,3-dihydro-thiophene 1,1-dioxide

Structural Information

Molecular Formula
C10H10O4S2
SMILES
C1C(C=CS1(=O)=O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-7,10H,8H2
InChIKey
DVWMJUAFBDCLCG-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.00204 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00932 154.9
[M+Na]+ 280.99126 165.4
[M-H]- 256.99476 162.2
[M+NH4]+ 276.03586 176.0
[M+K]+ 296.96520 161.1
[M+H-H2O]+ 240.99930 150.5
[M+HCOO]- 303.00024 169.4
[M+CH3COO]- 317.01589 184.9
[M+Na-2H]- 278.97671 158.5
[M]+ 258.00149 158.6
[M]- 258.00259 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.