CID 52401

1,4-bis(decylsulfonyl)butane

Structural Information

Molecular Formula
C24H50O4S2
SMILES
CCCCCCCCCCS(=O)(=O)CCCCS(=O)(=O)CCCCCCCCCC
InChI
InChI=1S/C24H50O4S2/c1-3-5-7-9-11-13-15-17-21-29(25,26)23-19-20-24-30(27,28)22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKey
MUEIDLVFAJJEEL-UHFFFAOYSA-N
Compound name
1-(4-decylsulfonylbutylsulfonyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.31506 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.32234 220.5
[M+Na]+ 489.30428 224.3
[M+NH4]+ 484.34888 229.4
[M+K]+ 505.27822 213.7
[M-H]- 465.30778 216.2
[M+Na-2H]- 487.28973 217.1
[M]+ 466.31451 220.4
[M]- 466.31561 220.4
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.