CID 16684299

Triphenyltin levulinate

Structural Information

Molecular Formula
C23H22O3Sn
SMILES
CC(=O)CCC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C5H8O3.Sn/c3*1-2-4-6-5-3-1;1-4(6)2-3-5(7)8;/h3*1-5H;2-3H2,1H3,(H,7,8);/q;;;;+1/p-1
InChIKey
ZKZPJASYVSFZEL-UHFFFAOYSA-M
Compound name
triphenylstannyl 4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.05908 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.06636 208.0
[M+Na]+ 489.04830 210.7
[M-H]- 465.05180 215.6
[M+NH4]+ 484.09290 217.9
[M+K]+ 505.02224 205.6
[M+H-H2O]+ 449.05634 197.0
[M+HCOO]- 511.05728 226.2
[M+CH3COO]- 525.07293 217.7
[M+Na-2H]- 487.03375 209.3
[M]+ 466.05853 208.5
[M]- 466.05963 208.5
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.