CID 95248

3670-93-7

Structural Information

Molecular Formula

C₅H₈O₆S₂

SMILES

C1C2(COS(=O)O1)COS(=O)OC2

InChI

InChI=1S/C5H8O6S2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2

InChIKey

UCFQFMBCPHTKRN-UHFFFAOYSA-N

Compound name

2,4,8,10-tetraoxa-3lambda4,9lambda4-dithiaspiro[5.5]undecane 3,9-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 227.97623 Da
Monoisotopic Mass: -0.2
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]+	228.98351	137.8
[M+Na]+	250.96545	144.9
[M-H]-	226.96895	145.4
[M+NH4]+	246.01005	153.0
[M+K]+	266.93939	148.1
[M+H-H2O]+	210.97349	133.8
[M+HCOO]-	272.97443	145.1
[M+CH3COO]-	286.99008	150.3
[M+Na-2H]-	248.95090	145.4
[M]+	227.97568	139.2
[M]-	227.97678	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe