CID 11311505

201419-80-9

Structural Information

Molecular Formula
C5H8O8S2
SMILES
C1C2(COS(=O)(=O)O1)COS(=O)(=O)OC2
InChI
InChI=1S/C5H8O8S2/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5/h1-4H2
InChIKey
YHTPVDJKWQQLPM-UHFFFAOYSA-N
Compound name
2,4,8,10-tetraoxa-3lambda6,9lambda6-dithiaspiro[5.5]undecane 3,3,9,9-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

259.96606 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97334 137.8
[M+Na]+ 282.95528 146.0
[M-H]- 258.95878 145.3
[M+NH4]+ 277.99988 155.0
[M+K]+ 298.92922 150.4
[M+H-H2O]+ 242.96332 135.3
[M+HCOO]- 304.96426 145.6
[M+CH3COO]- 318.97991 183.0
[M+Na-2H]- 280.94073 150.1
[M]+ 259.96551 142.1
[M]- 259.96661 142.1
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