CID 4575936

30447-17-7

Structural Information

Molecular Formula

C₁₀H₁₀O₄S₂

SMILES

C1CS(=O)(=O)C=C1S(=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/h1-5,8H,6-7H2

InChIKey

LTSCPMPPJDLHBP-UHFFFAOYSA-N

Compound name

4-(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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.