CID 11600810

1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide

Structural Information

Molecular Formula
C2H4O6S2
SMILES
C1OS(=O)(=O)CS(=O)(=O)O1
InChI
InChI=1S/C2H4O6S2/c3-9(4)2-10(5,6)8-1-7-9/h1-2H2
InChIKey
GWAOOGWHPITOEY-UHFFFAOYSA-N
Compound name
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7419
Patents

187.94493 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.95221 123.7
[M+Na]+ 210.93415 133.4
[M-H]- 186.93765 128.8
[M+NH4]+ 205.97875 144.7
[M+K]+ 226.90809 134.5
[M+H-H2O]+ 170.94219 121.0
[M+HCOO]- 232.94313 135.7
[M+CH3COO]- 246.95878 170.6
[M+Na-2H]- 208.91960 132.6
[M]+ 187.94438 127.9
[M]- 187.94548 127.9
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