CID 16683575

Nsc643840

Structural Information

Molecular Formula
C18H18F2O4Sn
SMILES
CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/2C7H5FO2.2C2H5.Sn/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2;/h2*1-4H,(H,9,10);2*1H2,2H3;/q;;;;+2/p-2
InChIKey
GKNVYQKQEPQPNB-UHFFFAOYSA-L
Compound name
[diethyl-(4-fluorobenzoyl)oxystannyl] 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.01953 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02681 200.1
[M+Na]+ 479.00875 205.8
[M-H]- 455.01225 203.1
[M+NH4]+ 474.05335 211.7
[M+K]+ 494.98269 202.1
[M+H-H2O]+ 439.01679 189.1
[M+HCOO]- 501.01773 217.0
[M+CH3COO]- 515.03338 215.9
[M+Na-2H]- 476.99420 199.1
[M]+ 456.01898 201.8
[M]- 456.02008 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.