CID 16683243

Nsc653548

Structural Information

Molecular Formula
C20H34O3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)O
InChI
InChI=1S/C8H8O3.3C4H9.Sn/c9-7(8(10)11)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7,9H,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
REVUKAJUTCFKFJ-UHFFFAOYSA-M
Compound name
tributylstannyl 2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.15298 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.16026 209.4
[M+Na]+ 465.14220 210.5
[M-H]- 441.14570 208.8
[M+NH4]+ 460.18680 221.1
[M+K]+ 481.11614 206.6
[M+H-H2O]+ 425.15024 201.0
[M+HCOO]- 487.15118 224.5
[M+CH3COO]- 501.16683 215.2
[M+Na-2H]- 463.12765 206.8
[M]+ 442.15243 213.6
[M]- 442.15353 213.6
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

No patent data available for this compound.