CID 3053242

69663-13-4

Structural Information

Molecular Formula
C10H20O5S2
SMILES
CCCCCCS(=O)(=O)C1CS(=O)(=O)CC1O
InChI
InChI=1S/C10H20O5S2/c1-2-3-4-5-6-17(14,15)10-8-16(12,13)7-9(10)11/h9-11H,2-8H2,1H3
InChIKey
SWMFRMHXUIBAEH-UHFFFAOYSA-N
Compound name
4-hexylsulfonyl-1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08251 161.0
[M+Na]+ 307.06445 168.3
[M-H]- 283.06795 162.4
[M+NH4]+ 302.10905 180.3
[M+K]+ 323.03839 164.3
[M+H-H2O]+ 267.07249 157.5
[M+HCOO]- 329.07343 170.6
[M+CH3COO]- 343.08908 190.4
[M+Na-2H]- 305.04990 161.3
[M]+ 284.07468 165.5
[M]- 284.07578 165.5
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.