CID 3061526

79355-78-5

Structural Information

Molecular Formula
C10H20O4S2
SMILES
CCCCCCS(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C10H20O4S2/c1-2-3-4-5-6-15(12)10-8-16(13,14)7-9(10)11/h9-11H,2-8H2,1H3
InChIKey
SYRHGCGUNFJCQQ-UHFFFAOYSA-N
Compound name
4-hexylsulfinyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0803 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08758 156.8
[M+Na]+ 291.06952 163.6
[M-H]- 267.07302 158.2
[M+NH4]+ 286.11412 176.8
[M+K]+ 307.04346 159.8
[M+H-H2O]+ 251.07756 153.0
[M+HCOO]- 313.07850 166.4
[M+CH3COO]- 327.09415 189.5
[M+Na-2H]- 289.05497 154.6
[M]+ 268.07975 160.5
[M]- 268.08085 160.5
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.