CID 10888141

75532-25-1

Structural Information

Molecular Formula
C6H4O3S
SMILES
C1C2=C(CS1)C(=O)OC2=O
InChI
InChI=1S/C6H4O3S/c7-5-3-1-10-2-4(3)6(8)9-5/h1-2H2
InChIKey
OEPDMUMGYXMSJZ-UHFFFAOYSA-N
Compound name
4,6-dihydrothieno[3,4-c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

155.98811 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.99539 129.5
[M+Na]+ 178.97733 139.3
[M+NH4]+ 174.02193 138.7
[M+K]+ 194.95127 136.3
[M-H]- 154.98083 131.5
[M+Na-2H]- 176.96278 131.4
[M]+ 155.98756 131.7
[M]- 155.98866 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe