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
2
Annotation Hits

0
References

133
Patents

187.96019 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.967466 132.5
[M+Na]+ 210.949408 142.3
[M-H]- 186.952914 137.9
[M+NH4]+ 205.994013 154.7
[M+K]+ 226.923348 140.6
[M+H-H2O]+ 170.957450 129.1
[M+HCOO]- 232.958391 144.2
[M+CH3COO]- 246.974041 146.4
[M+Na-2H]- 208.934856 134.9
[M]+ 187.95964142 134.5
[M]- 187.96073858 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe