CID 3113014

36715-83-0

Structural Information

Molecular Formula

C₅H₁₀O₅S₂

SMILES

CS(=O)(=O)OC1CCS(=O)(=O)C1

InChI

InChI=1S/C5H10O5S2/c1-11(6,7)10-5-2-3-12(8,9)4-5/h5H,2-4H2,1H3

InChIKey

HLUBZBXWCUVIJT-UHFFFAOYSA-N

Compound name

(1,1-dioxothiolan-3-yl) methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 213.99696 Da
Monoisotopic Mass: -0.8
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]+	215.00424	141.4
[M+Na]+	236.98618	150.6
[M-H]-	212.98968	144.9
[M+NH4]+	232.03078	164.0
[M+K]+	252.96012	148.7
[M+H-H2O]+	196.99422	138.2
[M+HCOO]-	258.99516	154.1
[M+CH3COO]-	273.01081	176.9
[M+Na-2H]-	234.97163	144.4
[M]+	213.99641	145.6
[M]-	213.99751	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe