CID 16684122

Dibutyltin diisostearate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

800.57043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.57771 301.1
[M+Na]+ 823.55965 306.4
[M-H]- 799.56315 287.5
[M+NH4]+ 818.60425 308.2
[M+K]+ 839.53359 313.8
[M+H-H2O]+ 783.56769 299.8
[M+HCOO]- 845.56863 299.4
[M+CH3COO]- 859.58428 291.1
[M+Na-2H]- 821.54510 281.4
[M]+ 800.56988 300.7
[M]- 800.57098 300.7
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