CID 16683245

Nsc653550

Structural Information

Molecular Formula
C26H36O6Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C(C1=CC=CC=C1)OC)OC(=O)C(C2=CC=CC=C2)OC
InChI
InChI=1S/2C9H10O3.2C4H9.Sn/c2*1-12-8(9(10)11)7-5-3-2-4-6-7;2*1-3-4-2;/h2*2-6,8H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
RIYVRRQQYLIGBY-UHFFFAOYSA-L
Compound name
[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.1534 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.16068 235.8
[M+Na]+ 587.14262 234.9
[M-H]- 563.14612 239.2
[M+NH4]+ 582.18722 241.9
[M+K]+ 603.11656 233.0
[M+H-H2O]+ 547.15066 224.8
[M+HCOO]- 609.15160 250.4
[M+CH3COO]- 623.16725 237.2
[M+Na-2H]- 585.12807 231.3
[M]+ 564.15285 243.2
[M]- 564.15395 243.2
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.