CID 121231862

2089377-05-7

Structural Information

Molecular Formula

C₄H₈O₅S₂

SMILES

CS(=O)(=O)OC1CS(=O)(=O)C1

InChI

InChI=1S/C4H8O5S2/c1-10(5,6)9-4-2-11(7,8)3-4/h4H,2-3H2,1H3

InChIKey

IPVVNFKNEMBMRE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 199.98132 Da
Monoisotopic Mass: -1.1
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]+	200.98860	128.7
[M+Na]+	222.97054	134.7
[M-H]-	198.97404	131.6
[M+NH4]+	218.01514	142.9
[M+K]+	238.94448	136.0
[M+H-H2O]+	182.97858	118.9
[M+HCOO]-	244.97952	139.9
[M+CH3COO]-	258.99517	179.4
[M+Na-2H]-	220.95599	132.8
[M]+	199.98077	141.5
[M]-	199.98187	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe