CID 16683246

Nsc653551

Structural Information

Molecular Formula
C24H28O8Sn
SMILES
CC[Sn](CC)(OC(=O)C(C1=CC=CC=C1)OC(=O)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/2C10H10O4.2C2H5.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-2;/h2*2-6,9H,1H3,(H,12,13);2*1H2,2H3;/q;;;;+2/p-2
InChIKey
IJBYFXLZZMMXGP-UHFFFAOYSA-L
Compound name
[(2-acetyloxy-2-phenylacetyl)oxy-diethylstannyl] 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.0806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.08788 226.6
[M+Na]+ 587.06982 226.4
[M-H]- 563.07332 230.7
[M+NH4]+ 582.11442 232.4
[M+K]+ 603.04376 226.8
[M+H-H2O]+ 547.07786 216.4
[M+HCOO]- 609.07880 240.8
[M+CH3COO]- 623.09445 234.6
[M+Na-2H]- 585.05527 221.8
[M]+ 564.08005 233.6
[M]- 564.08115 233.6
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.