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

132
Patents

187.96019 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96747 132.5
[M+Na]+ 210.94941 142.3
[M-H]- 186.95291 137.9
[M+NH4]+ 205.99401 154.7
[M+K]+ 226.92335 140.6
[M+H-H2O]+ 170.95745 129.1
[M+HCOO]- 232.95839 144.2
[M+CH3COO]- 246.97404 146.4
[M+Na-2H]- 208.93486 134.9
[M]+ 187.95964 134.5
[M]- 187.96074 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