CID 16683236

Nsc645578

Structural Information

Molecular Formula
C21H36O3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC
InChI
InChI=1S/C9H10O3.3C4H9.Sn/c1-12-8(9(10)11)7-5-3-2-4-6-7;3*1-3-4-2;/h2-6,8H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
UJNPNWZXIJKMGJ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-methoxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

456.16864 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.17592 213.9
[M+Na]+ 479.15786 215.0
[M-H]- 455.16136 214.5
[M+NH4]+ 474.20246 225.7
[M+K]+ 495.13180 211.7
[M+H-H2O]+ 439.16590 204.9
[M+HCOO]- 501.16684 230.1
[M+CH3COO]- 515.18249 220.7
[M+Na-2H]- 477.14331 211.2
[M]+ 456.16809 220.3
[M]- 456.16919 220.3
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