CID 9577257

Didodecyltin diisooctyl thioglycolate

Structural Information

Molecular Formula
C44H88O4S2Sn
SMILES
CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI
InChI=1S/2C12H25.2C10H20O2S.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9(2)6-4-3-5-7-12-10(11)8-13;/h2*1,3-12H2,2H3;2*9,13H,3-8H2,1-2H3;/q;;;;+2/p-2
InChIKey
YYUCEVXCMMVFLI-UHFFFAOYSA-L
Compound name
6-methylheptyl 2-[didodecyl-[2-(6-methylheptoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

864.5146 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.52188 326.5
[M+Na]+ 887.50382 327.3
[M-H]- 863.50732 306.0
[M+NH4]+ 882.54842 331.1
[M+K]+ 903.47776 336.8
[M+H-H2O]+ 847.51186 323.9
[M+HCOO]- 909.51280 321.6
[M+CH3COO]- 923.52845 295.5
[M+Na-2H]- 885.48927 302.7
[M]+ 864.51405 328.1
[M]- 864.51515 328.1
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

patents stripe