CID 458309

2,6-dipropyl-1,4-dithiane 1,1,4,4-tetraoxide

Structural Information

Molecular Formula
C10H20O4S2
SMILES
CCCC1CS(=O)(=O)CC(S1(=O)=O)CCC
InChI
InChI=1S/C10H20O4S2/c1-3-5-9-7-15(11,12)8-10(6-4-2)16(9,13)14/h9-10H,3-8H2,1-2H3
InChIKey
OTQFBKNFFMGHQI-UHFFFAOYSA-N
Compound name
2,6-dipropyl-1,4-dithiane 1,1,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0803 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08758 149.5
[M+Na]+ 291.06952 157.3
[M-H]- 267.07302 152.2
[M+NH4]+ 286.11412 170.4
[M+K]+ 307.04346 153.8
[M+H-H2O]+ 251.07756 146.0
[M+HCOO]- 313.07850 159.5
[M+CH3COO]- 327.09415 191.8
[M+Na-2H]- 289.05497 151.5
[M]+ 268.07975 153.5
[M]- 268.08085 153.5
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.