CID 16684612

73940-89-3

Structural Information

Molecular Formula
C21H33Cl3O3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C(C)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O3.3C4H9.Sn/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12;3*1-3-4-2;/h2-4H,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
HRELQZYSLHZYPJ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-(2,4,5-trichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.05176 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.05904 223.9
[M+Na]+ 581.04098 229.2
[M-H]- 557.04448 224.3
[M+NH4]+ 576.08558 234.3
[M+K]+ 597.01492 221.8
[M+H-H2O]+ 541.04902 218.1
[M+HCOO]- 603.04996 225.8
[M+CH3COO]- 617.06561 235.4
[M+Na-2H]- 579.02643 218.0
[M]+ 558.05121 234.8
[M]- 558.05231 234.8
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

No patent data available for this compound.