CID 16683244

Nsc653549

Structural Information

Molecular Formula
C28H36O8Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C(C1=CC=CC=C1)OC(=O)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/2C10H10O4.2C4H9.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-3-4-2;/h2*2-6,9H,1H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
DAVWLOMFIWGLOD-UHFFFAOYSA-L
Compound name
[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.15053 244.8
[M+Na]+ 643.13247 242.8
[M-H]- 619.13597 248.0
[M+NH4]+ 638.17707 248.2
[M+K]+ 659.10641 242.3
[M+H-H2O]+ 603.14051 233.8
[M+HCOO]- 665.14145 257.6
[M+CH3COO]- 679.15710 245.8
[M+Na-2H]- 641.11792 238.0
[M]+ 620.14270 253.0
[M]- 620.14380 253.0
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.