CID 16683941

3465-77-8

Structural Information

Molecular Formula
C52H106O5Sn2
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/2C18H36O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*2-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
DBJRAYLKQXBRPP-UHFFFAOYSA-L
Compound name
[dibutyl-[dibutyl(octadecanoyloxy)stannyl]oxystannyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

1050.6084 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1051.6157 347.4
[M+Na]+ 1073.5976 349.8
[M-H]- 1049.6011 330.7
[M+NH4]+ 1068.6422 354.2
[M+K]+ 1089.5716 361.4
[M+H-H2O]+ 1033.6057 342.3
[M+HCOO]- 1095.6066 347.9
[M+CH3COO]- 1109.6223 318.4
[M+Na-2H]- 1071.5831 321.4
[M]+ 1050.6079 346.4
[M]- 1050.6089 346.4
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