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 218.2
[M+Na]+ 489.30428 218.5
[M-H]- 465.30778 214.8
[M+NH4]+ 484.34888 222.8
[M+K]+ 505.27822 211.3
[M+H-H2O]+ 449.31232 210.1
[M+HCOO]- 511.31326 237.2
[M+CH3COO]- 525.32891 233.5
[M+Na-2H]- 487.28973 213.8
[M]+ 466.31451 230.3
[M]- 466.31561 230.3
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.