CID 372724

Nsc648307

Structural Information

Molecular Formula
C3H4Cl2O6S2
SMILES
C1COS(=O)(=O)C(S(=O)(=O)O1)(Cl)Cl
InChI
InChI=1S/C3H4Cl2O6S2/c4-3(5)12(6,7)10-1-2-11-13(3,8)9/h1-2H2
InChIKey
OPBXTOPKDJSOAO-UHFFFAOYSA-N
Compound name
3,3-dichloro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.88263 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.88991 131.7
[M+Na]+ 292.87185 140.0
[M-H]- 268.87535 137.0
[M+NH4]+ 287.91645 150.6
[M+K]+ 308.84579 143.0
[M+H-H2O]+ 252.87989 130.2
[M+HCOO]- 314.88083 134.0
[M+CH3COO]- 328.89648 185.0
[M+Na-2H]- 290.85730 139.6
[M]+ 269.88208 134.6
[M]- 269.88318 134.6
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

No patent data available for this compound.