CID 16682812

Tributyltin 2-ethylhexanoate

Structural Information

Molecular Formula
C20H42O2Sn
SMILES
CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
NJBLMKDJCMZEJZ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

196
Patents

434.22067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22795 205.4
[M+Na]+ 457.20989 211.6
[M+NH4]+ 452.25449 210.0
[M+K]+ 473.18383 204.1
[M-H]- 433.21339 202.9
[M+Na-2H]- 455.19534 203.7
[M]+ 434.22012 205.3
[M]- 434.22122 205.3
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