CID 16683578

Nsc643844

Structural Information

Molecular Formula
C22H24F4O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)OC(=O)C2=C(C=CC(=C2)F)F
InChI
InChI=1S/2C7H4F2O2.2C4H9.Sn/c2*8-4-1-2-6(9)5(3-4)7(10)11;2*1-3-4-2;/h2*1-3H,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
UFWXWAVZQPTJFY-UHFFFAOYSA-L
Compound name
[dibutyl-(2,5-difluorobenzoyl)oxystannyl] 2,5-difluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.0633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.07058 224.2
[M+Na]+ 571.05252 230.1
[M-H]- 547.05602 224.3
[M+NH4]+ 566.09712 232.4
[M+K]+ 587.02646 224.7
[M+H-H2O]+ 531.06056 210.9
[M+HCOO]- 593.06150 237.4
[M+CH3COO]- 607.07715 235.4
[M+Na-2H]- 569.03797 218.6
[M]+ 548.06275 225.7
[M]- 548.06385 225.7
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.