CID 3061527

3-thiophenol, tetrahydro-4-(dodecylsulfinyl)-, 1,1-dioxide

Structural Information

Molecular Formula
C16H32O4S2
SMILES
CCCCCCCCCCCCS(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C16H32O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-21(18)16-14-22(19,20)13-15(16)17/h15-17H,2-14H2,1H3
InChIKey
SYBGQUOWIDTOOE-UHFFFAOYSA-N
Compound name
4-dodecylsulfinyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1742 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18148 181.1
[M+Na]+ 375.16342 185.3
[M-H]- 351.16692 181.3
[M+NH4]+ 370.20802 197.8
[M+K]+ 391.13736 180.2
[M+H-H2O]+ 335.17146 176.3
[M+HCOO]- 397.17240 188.9
[M+CH3COO]- 411.18805 207.0
[M+Na-2H]- 373.14887 176.6
[M]+ 352.17365 186.9
[M]- 352.17475 186.9
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.