CID 3053240

3-decylsulfinyltetrahydrothiophene-4-ol 1,1-dioxide

Structural Information

Molecular Formula
C14H28O4S2
SMILES
CCCCCCCCCCS(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C14H28O4S2/c1-2-3-4-5-6-7-8-9-10-19(16)14-12-20(17,18)11-13(14)15/h13-15H,2-12H2,1H3
InChIKey
UEZGXXLNDLFFHJ-UHFFFAOYSA-N
Compound name
4-decylsulfinyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1429 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15018 173.1
[M+Na]+ 347.13212 178.1
[M-H]- 323.13562 173.7
[M+NH4]+ 342.17672 190.9
[M+K]+ 363.10606 173.4
[M+H-H2O]+ 307.14016 168.6
[M+HCOO]- 369.14110 181.5
[M+CH3COO]- 383.15675 201.2
[M+Na-2H]- 345.11757 169.3
[M]+ 324.14235 178.2
[M]- 324.14345 178.2
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.