CID 16683196

Nsc643852

Structural Information

Molecular Formula
C22H26F4O5Sn2
SMILES
CC[Sn](CC)(OC(=O)C1=C(C=CC=C1F)F)O[Sn](CC)(CC)OC(=O)C2=C(C=CC=C2F)F
InChI
InChI=1S/2C7H4F2O2.4C2H5.O.2Sn/c2*8-4-2-1-3-5(9)6(4)7(10)11;4*1-2;;;/h2*1-3H,(H,10,11);4*1H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
JZGXIXXBIRSRTK-UHFFFAOYSA-L
Compound name
[[(2,6-difluorobenzoyl)oxy-diethylstannyl]oxy-diethylstannyl] 2,6-difluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.976 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.98328 251.0
[M+Na]+ 708.96522 255.6
[M-H]- 684.96872 250.3
[M+NH4]+ 704.00982 256.7
[M+K]+ 724.93916 251.1
[M+H-H2O]+ 668.97326 236.8
[M+HCOO]- 730.97420 261.2
[M+CH3COO]- 744.98985 244.8
[M+Na-2H]- 706.95067 244.2
[M]+ 685.97545 253.6
[M]- 685.97655 253.6
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.