CID 52834

1,2-bis(hexadecylsulfonyl)ethane

Structural Information

Molecular Formula
C34H70O4S2
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C34H70O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(35,36)33-34-40(37,38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey
HUGFSDOZBXQLRR-UHFFFAOYSA-N
Compound name
1-(2-hexadecylsulfonylethylsulfonyl)hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.47156 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.47884 258.5
[M+Na]+ 629.46078 259.3
[M-H]- 605.46428 239.4
[M+NH4]+ 624.50538 258.5
[M+K]+ 645.43472 263.4
[M+H-H2O]+ 589.46882 253.7
[M+HCOO]- 651.46976 269.4
[M+CH3COO]- 665.48541 261.3
[M+Na-2H]- 627.44623 240.6
[M]+ 606.47101 263.9
[M]- 606.47211 263.9
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.