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]+ 269.087576 149.5
[M+Na]+ 291.069518 157.3
[M-H]- 267.073024 152.2
[M+NH4]+ 286.114123 170.4
[M+K]+ 307.043458 153.8
[M+H-H2O]+ 251.077560 146.0
[M+HCOO]- 313.078501 159.5
[M+CH3COO]- 327.094151 191.8
[M+Na-2H]- 289.054966 151.5
[M]+ 268.07975142 153.5
[M]- 268.08084858 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.