CID 52857

1,2-bis(dodecylsulfonyl)ethane

Structural Information

Molecular Formula
C26H54O4S2
SMILES
CCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)CCCCCCCCCCCC
InChI
InChI=1S/C26H54O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-31(27,28)25-26-32(29,30)24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey
BFFWIASTTBPWHT-UHFFFAOYSA-N
Compound name
1-(2-dodecylsulfonylethylsulfonyl)dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.34634 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.35362 226.0
[M+Na]+ 517.33556 225.4
[M-H]- 493.33906 213.7
[M+NH4]+ 512.38016 230.1
[M+K]+ 533.30950 217.8
[M+H-H2O]+ 477.34360 217.6
[M+HCOO]- 539.34454 243.8
[M+CH3COO]- 553.36019 239.1
[M+Na-2H]- 515.32101 220.8
[M]+ 494.34579 235.9
[M]- 494.34689 235.9
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.