CID 206717

Decamethylenebis(ethylmethylsulfonium iodide)

Structural Information

Molecular Formula
C16H36S2
SMILES
CC[S+](C)CCCCCCCCCC[S+](C)CC
InChI
InChI=1S/C16H36S2/c1-5-17(3)15-13-11-9-7-8-10-12-14-16-18(4)6-2/h5-16H2,1-4H3/q+2
InChIKey
NSKPRZYRNFTZLM-UHFFFAOYSA-N
Compound name
ethyl-[10-[ethyl(methyl)sulfonio]decyl]-methylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.22583 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.23311 164.7
[M+Na]+ 315.21505 176.0
[M+NH4]+ 310.25965 174.8
[M+K]+ 331.18899 166.4
[M-H]- 291.21855 168.3
[M+Na-2H]- 313.20050 167.3
[M]+ 292.22528 168.9
[M]- 292.22638 168.9
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.