CID 20078831

73246-85-2

Structural Information

Molecular Formula
C44H88O4S2Sn
SMILES
CCCCCCCCCCCCOC(=O)CS[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCCCCCCCC
InChI
InChI=1S/2C14H28O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-5-7-8-6-4-2;/h2*17H,2-13H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
KJVWFJPPXNGPTJ-UHFFFAOYSA-L
Compound name
dodecyl 2-[(2-dodecoxy-2-oxoethyl)sulfanyl-dioctylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

864.5146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.52188 309.1
[M+Na]+ 887.50382 313.8
[M+NH4]+ 882.54842 310.7
[M+K]+ 903.47776 310.1
[M-H]- 863.50732 289.6
[M+Na-2H]- 885.48927 304.0
[M]+ 864.51405 305.3
[M]- 864.51515 305.3
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.