CID 16684105

Dibutyldi(docosanoyloxy)stannane

Structural Information

Molecular Formula
C52H104O4Sn
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/2C22H44O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;2*1-3-4-2;/h2*2-21H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
CHUXJFIWYUUSDJ-UHFFFAOYSA-L
Compound name
[dibutyl(docosanoyloxy)stannyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

912.6957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.70298 327.5
[M+Na]+ 935.68492 330.4
[M-H]- 911.68842 307.8
[M+NH4]+ 930.72952 331.3
[M+K]+ 951.65886 340.0
[M+H-H2O]+ 895.69296 324.2
[M+HCOO]- 957.69390 327.7
[M+CH3COO]- 971.70955 310.6
[M+Na-2H]- 933.67037 303.3
[M]+ 912.69515 327.0
[M]- 912.69625 327.0
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