CID 340936

1,5,2,4-dioxadithiepane

Structural Information

Molecular Formula
C4H8O6S2
SMILES
CC1S(=O)(=O)OCCOS1(=O)=O
InChI
InChI=1S/C4H8O6S2/c1-4-11(5,6)9-2-3-10-12(4,7)8/h4H,2-3H2,1H3
InChIKey
XPMXSCXQTAOMAE-UHFFFAOYSA-N
Compound name
3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

215.97623 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98351 132.0
[M+Na]+ 238.96545 137.7
[M-H]- 214.96895 137.2
[M+NH4]+ 234.01005 149.8
[M+K]+ 254.93939 142.7
[M+H-H2O]+ 198.97349 128.2
[M+HCOO]- 260.97443 142.1
[M+CH3COO]- 274.99008 179.7
[M+Na-2H]- 236.95090 137.8
[M]+ 215.97568 132.7
[M]- 215.97678 132.7
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