CID 361189

120586-49-4

Structural Information

Molecular Formula

C₄H₈O₄S₂

SMILES

C1[C@H]([C@H](CS(=O)(=O)S1)O)O

InChI

InChI=1S/C4H8O4S2/c5-3-1-9-10(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4+/m1/s1

InChIKey

HEDDKNPLYXIIDO-DMTCNVIQSA-N

Compound name

(4S,5R)-1,1-dioxodithiane-4,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 15
Patents: 183.9864 Da
Monoisotopic Mass: -1.4
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]+	184.993676	130.6
[M+Na]+	206.975618	138.3
[M-H]-	182.979124	131.1
[M+NH4]+	202.020223	151.3
[M+K]+	222.949558	134.8
[M+H-H2O]+	166.983660	127.2
[M+HCOO]-	228.984601	139.3
[M+CH3COO]-	243.000251	169.8
[M+Na-2H]-	204.961066	132.9
[M]+	183.98585142	129.3
[M]-	183.98694858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe