CID 361189

120586-49-4

Structural Information

Molecular Formula
C4H8O4S2
SMILES
C1[C@H]([C@H](CS(=O)(=O)S1)O)O
InChI
InChI=1S/C4H8O4S2/c5-3-1-9-10(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4+/m1/s1
InChIKey
HEDDKNPLYXIIDO-DMTCNVIQSA-N
Compound name
(4S,5R)-1,1-dioxodithiane-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

13
Patents

183.9864 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99368 130.6
[M+Na]+ 206.97562 138.3
[M-H]- 182.97912 131.1
[M+NH4]+ 202.02022 151.3
[M+K]+ 222.94956 134.8
[M+H-H2O]+ 166.98366 127.2
[M+HCOO]- 228.98460 139.3
[M+CH3COO]- 243.00025 169.8
[M+Na-2H]- 204.96107 132.9
[M]+ 183.98585 129.3
[M]- 183.98695 129.3
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