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]+ 269.087576 156.8
[M+Na]+ 291.069518 163.6
[M-H]- 267.073024 158.2
[M+NH4]+ 286.114123 176.8
[M+K]+ 307.043458 159.8
[M+H-H2O]+ 251.077560 153.0
[M+HCOO]- 313.078501 166.4
[M+CH3COO]- 327.094151 189.5
[M+Na-2H]- 289.054966 154.6
[M]+ 268.07975142 160.5
[M]- 268.08084858 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.