CID 52835

1,2-bis(tetradecylsulfonyl)ethane

Structural Information

Molecular Formula
C30H62O4S2
SMILES
CCCCCCCCCCCCCCS(=O)(=O)CCS(=O)(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C30H62O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35(31,32)29-30-36(33,34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
ULYFEXRGTGZLEG-UHFFFAOYSA-N
Compound name
1-(2-tetradecylsulfonylethylsulfonyl)tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.40894 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.41622 244.3
[M+Na]+ 573.39816 245.8
[M-H]- 549.40166 226.7
[M+NH4]+ 568.44276 244.4
[M+K]+ 589.37210 248.3
[M+H-H2O]+ 533.40620 240.0
[M+HCOO]- 595.40714 256.8
[M+CH3COO]- 609.42279 250.3
[M+Na-2H]- 571.38361 228.2
[M]+ 550.40839 250.0
[M]- 550.40949 250.0
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.