CID 366455

Nsc634864

Structural Information

Molecular Formula
C4H8O8S3
SMILES
CS(=O)(=O)C1S(=O)(=O)OCCOS1(=O)=O
InChI
InChI=1S/C4H8O8S3/c1-13(5,6)4-14(7,8)11-2-3-12-15(4,9)10/h4H,2-3H2,1H3
InChIKey
GYFGCYZQUPQHSE-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.93814 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.94542 151.2
[M+Na]+ 302.92736 155.1
[M-H]- 278.93086 154.5
[M+NH4]+ 297.97196 165.2
[M+K]+ 318.90130 158.8
[M+H-H2O]+ 262.93540 147.2
[M+HCOO]- 324.93634 154.8
[M+CH3COO]- 338.95199 188.5
[M+Na-2H]- 300.91281 157.7
[M]+ 279.93759 151.5
[M]- 279.93869 151.5
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.