CID 342368

Nsc378892

Structural Information

Molecular Formula
C5H10O6S2
SMILES
CC1C(OS(=O)(=O)CS(=O)(=O)O1)C
InChI
InChI=1S/C5H10O6S2/c1-4-5(2)11-13(8,9)3-12(6,7)10-4/h4-5H,3H2,1-2H3
InChIKey
RJZAXMTZDFHFBE-UHFFFAOYSA-N
Compound name
6,7-dimethyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

229.99188 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99916 134.3
[M+Na]+ 252.98110 140.3
[M-H]- 228.98460 139.6
[M+NH4]+ 248.02570 151.8
[M+K]+ 268.95504 145.2
[M+H-H2O]+ 212.98914 130.6
[M+HCOO]- 274.99008 144.0
[M+CH3COO]- 289.00573 183.6
[M+Na-2H]- 250.96655 139.3
[M]+ 229.99133 135.7
[M]- 229.99243 135.8
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