CID 52860

1,2-bis(decylsulfonyl)ethane

Structural Information

Molecular Formula
C22H46O4S2
SMILES
CCCCCCCCCCS(=O)(=O)CCS(=O)(=O)CCCCCCCCCC
InChI
InChI=1S/C22H46O4S2/c1-3-5-7-9-11-13-15-17-19-27(23,24)21-22-28(25,26)20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
NRIUHZGWMQFPDF-UHFFFAOYSA-N
Compound name
1-(2-decylsulfonylethylsulfonyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.28375 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.29103 210.3
[M+Na]+ 461.27297 211.4
[M-H]- 437.27647 207.3
[M+NH4]+ 456.31757 215.4
[M+K]+ 477.24691 204.7
[M+H-H2O]+ 421.28101 202.6
[M+HCOO]- 483.28195 230.5
[M+CH3COO]- 497.29760 227.8
[M+Na-2H]- 459.25842 206.7
[M]+ 438.28320 221.7
[M]- 438.28430 221.7
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

patents stripe