CID 3053241

69663-12-3

Structural Information

Molecular Formula
C14H28O5S2
SMILES
CCCCCCCCCCS(=O)(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C14H28O5S2/c1-2-3-4-5-6-7-8-9-10-21(18,19)14-12-20(16,17)11-13(14)15/h13-15H,2-12H2,1H3
InChIKey
LBEHYUHTUAYRMO-UHFFFAOYSA-N
Compound name
4-decylsulfonyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13782 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14510 177.2
[M+Na]+ 363.12704 182.8
[M-H]- 339.13054 177.8
[M+NH4]+ 358.17164 194.3
[M+K]+ 379.10098 177.9
[M+H-H2O]+ 323.13508 173.1
[M+HCOO]- 385.13602 185.6
[M+CH3COO]- 399.15167 202.0
[M+Na-2H]- 361.11249 175.9
[M]+ 340.13727 183.1
[M]- 340.13837 183.1
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

No patent data available for this compound.