CID 16683237

Nsc645579

Structural Information

Molecular Formula
C22H36O4Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
WJLNJZMTFIOXKN-UHFFFAOYSA-M
Compound name
tributylstannyl 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

484.16357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.17085 219.7
[M+Na]+ 507.15279 220.4
[M-H]- 483.15629 220.2
[M+NH4]+ 502.19739 230.2
[M+K]+ 523.12673 217.5
[M+H-H2O]+ 467.16083 210.7
[M+HCOO]- 529.16177 235.0
[M+CH3COO]- 543.17742 224.9
[M+Na-2H]- 505.13824 215.5
[M]+ 484.16302 226.5
[M]- 484.16412 226.6
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