CID 82669

10489-75-5

Structural Information

Molecular Formula

C₆H₄O₃S₂

SMILES

C1CSC2=C(S1)C(=O)OC2=O

InChI

InChI=1S/C6H4O3S2/c7-5-3-4(6(8)9-5)11-2-1-10-3/h1-2H2

InChIKey

MXSSHXZXAAXCOW-UHFFFAOYSA-N

Compound name

2,3-dihydro-[1,4]dithiino[2,3-c]furan-5,7-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 187.96019 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]+	188.96747	134.5
[M+Na]+	210.94941	144.6
[M+NH4]+	205.99401	144.1
[M+K]+	226.92335	137.7
[M-H]-	186.95291	137.3
[M+Na-2H]-	208.93486	136.6
[M]+	187.95964	137.6
[M]-	187.96074	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe