CID 16684355

Tributyltin nonanoate

Structural Information

Molecular Formula
C21H44O2Sn
SMILES
CCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C9H18O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9(10)11;3*1-3-4-2;/h2-8H2,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
WHQOTKWKDQHRMA-UHFFFAOYSA-M
Compound name
tributylstannyl nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

448.23633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.24361 218.2
[M+Na]+ 471.22555 218.5
[M-H]- 447.22905 215.0
[M+NH4]+ 466.27015 231.0
[M+K]+ 487.19949 214.7
[M+H-H2O]+ 431.23359 210.3
[M+HCOO]- 493.23453 233.6
[M+CH3COO]- 507.25018 222.8
[M+Na-2H]- 469.21100 214.0
[M]+ 448.23578 226.7
[M]- 448.23688 226.7
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