CID 57513

Cyclodisone

Structural Information

Molecular Formula

C₃H₆O₆S₂

SMILES

C1COS(=O)(=O)CS(=O)(=O)O1

InChI

InChI=1S/C3H6O6S2/c4-10(5)3-11(6,7)9-2-1-8-10/h1-3H2

InChIKey

RYIRMSRYCSMGJA-UHFFFAOYSA-N

Compound name

1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 2266
Patents: 201.96059 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]+	202.96787	129.6
[M+Na]+	224.94981	135.1
[M-H]-	200.95331	134.7
[M+NH4]+	219.99441	147.7
[M+K]+	240.92375	140.1
[M+H-H2O]+	184.95785	125.8
[M+HCOO]-	246.95879	140.1
[M+CH3COO]-	260.97444	175.8
[M+Na-2H]-	222.93526	136.2
[M]+	201.96004	129.7
[M]-	201.96114	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe