CID 206608

1,10-bis(ethylsulfinyl)decane

Structural Information

Molecular Formula
C14H30O2S2
SMILES
CCS(=O)CCCCCCCCCCS(=O)CC
InChI
InChI=1S/C14H30O2S2/c1-3-17(15)13-11-9-7-5-6-8-10-12-14-18(16)4-2/h3-14H2,1-2H3
InChIKey
CVRHBRSXCPLOOB-UHFFFAOYSA-N
Compound name
1,10-bis(ethylsulfinyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.16873 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.17601 169.7
[M+Na]+ 317.15795 173.0
[M-H]- 293.16145 168.3
[M+NH4]+ 312.20255 185.6
[M+K]+ 333.13189 168.6
[M+H-H2O]+ 277.16599 162.9
[M+HCOO]- 339.16693 178.2
[M+CH3COO]- 353.18258 203.3
[M+Na-2H]- 315.14340 165.0
[M]+ 294.16818 176.7
[M]- 294.16928 176.7
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.