CID 208887

Pentane, 1,5-bis(decylsulfonyl)-

Structural Information

Molecular Formula
C25H52O4S2
SMILES
CCCCCCCCCCS(=O)(=O)CCCCCS(=O)(=O)CCCCCCCCCC
InChI
InChI=1S/C25H52O4S2/c1-3-5-7-9-11-13-15-18-22-30(26,27)24-20-17-21-25-31(28,29)23-19-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey
VCZOYDJJAHXJQB-UHFFFAOYSA-N
Compound name
1-(5-decylsulfonylpentylsulfonyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.3307 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.33798 222.1
[M+Na]+ 503.31992 222.0
[M-H]- 479.32342 218.5
[M+NH4]+ 498.36452 226.4
[M+K]+ 519.29386 214.5
[M+H-H2O]+ 463.32796 213.8
[M+HCOO]- 525.32890 240.5
[M+CH3COO]- 539.34455 236.3
[M+Na-2H]- 501.30537 217.3
[M]+ 480.33015 234.6
[M]- 480.33125 234.6
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.