CID 16683187

Nsc643839

Structural Information

Molecular Formula
C22H26F2O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC=C1)F)OC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/2C7H5FO2.2C4H9.Sn/c2*8-6-3-1-2-5(4-6)7(9)10;2*1-3-4-2;/h2*1-4H,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
JKWNSHGDTKYHAP-UHFFFAOYSA-L
Compound name
[dibutyl-(3-fluorobenzoyl)oxystannyl] 3-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.0821 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.08938 218.8
[M+Na]+ 535.07132 222.7
[M-H]- 511.07482 220.9
[M+NH4]+ 530.11592 228.0
[M+K]+ 551.04526 218.1
[M+H-H2O]+ 495.07936 207.0
[M+HCOO]- 557.08030 234.2
[M+CH3COO]- 571.09595 227.6
[M+Na-2H]- 533.05677 215.7
[M]+ 512.08155 221.9
[M]- 512.08265 221.9
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.