CID 113213

Disulfoxide, dihexyl

Structural Information

Molecular Formula
C12H26O2S2
SMILES
CCCCCCS(=O)S(=O)CCCCCC
InChI
InChI=1S/C12H26O2S2/c1-3-5-7-9-11-15(13)16(14)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
KNXIMYUHWUOWMW-UHFFFAOYSA-N
Compound name
1-hexylsulfinylsulfinylhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.13742 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14470 161.3
[M+Na]+ 289.12664 165.5
[M-H]- 265.13014 160.3
[M+NH4]+ 284.17124 178.3
[M+K]+ 305.10058 161.6
[M+H-H2O]+ 249.13468 154.9
[M+HCOO]- 311.13562 170.4
[M+CH3COO]- 325.15127 197.5
[M+Na-2H]- 287.11209 157.5
[M]+ 266.13687 167.6
[M]- 266.13797 167.6
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.