CID 16683195

Nsc643851

Structural Information

Molecular Formula
C22H28F2O5Sn2
SMILES
CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/2C7H5FO2.4C2H5.O.2Sn/c2*8-6-3-1-5(2-4-6)7(9)10;4*1-2;;;/h2*1-4H,(H,9,10);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
DLMMBRDXIFLIFO-UHFFFAOYSA-L
Compound name
[[diethyl-(4-fluorobenzoyl)oxystannyl]oxy-diethylstannyl] 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.9949 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.00218 245.4
[M+Na]+ 672.98412 248.1
[M-H]- 648.98762 246.8
[M+NH4]+ 668.02872 252.2
[M+K]+ 688.95806 244.3
[M+H-H2O]+ 632.99216 232.8
[M+HCOO]- 694.99310 257.9
[M+CH3COO]- 709.00875 237.0
[M+Na-2H]- 670.96957 241.2
[M]+ 649.99435 249.7
[M]- 649.99545 249.7
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.