CID 11063355

Thiopyrano[3,2-b]thiopyran-4,8-dione

Structural Information

Molecular Formula
C8H4O2S2
SMILES
C1=CSC2=C(C1=O)SC=CC2=O
InChI
InChI=1S/C8H4O2S2/c9-5-1-3-11-8-6(10)2-4-12-7(5)8/h1-4H
InChIKey
JQEXLLJKRVPXMB-UHFFFAOYSA-N
Compound name
thiopyrano[3,2-b]thiopyran-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.96527 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.972546 131.3
[M+Na]+ 218.954488 143.1
[M-H]- 194.957994 136.8
[M+NH4]+ 213.999093 152.9
[M+K]+ 234.928428 138.2
[M+H-H2O]+ 178.962530 126.5
[M+HCOO]- 240.963471 146.1
[M+CH3COO]- 254.979121 145.8
[M+Na-2H]- 216.939936 136.9
[M]+ 195.96472142 135.2
[M]- 195.96581858 135.2
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

No patent data available for this compound.