CID 16682765

Dibutyltin distearate

Structural Information

Molecular Formula
C44H88O4Sn
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/2C18H36O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
YVHDRFKHKGNLNW-UHFFFAOYSA-L
Compound name
[dibutyl(octadecanoyloxy)stannyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1740
Patents

800.57043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.57771 303.0
[M+Na]+ 823.55965 307.2
[M-H]- 799.56315 286.3
[M+NH4]+ 818.60425 306.9
[M+K]+ 839.53359 313.6
[M+H-H2O]+ 783.56769 300.5
[M+HCOO]- 845.56863 306.1
[M+CH3COO]- 859.58428 289.9
[M+Na-2H]- 821.54510 281.8
[M]+ 800.56988 302.2
[M]- 800.57098 302.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe