CID 16683198

Nsc643854

Structural Information

Molecular Formula
C30H42F4O5Sn2
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/2C7H4F2O2.4C4H9.O.2Sn/c2*8-5-1-4(7(10)11)2-6(9)3-5;4*1-3-4-2;;;/h2*1-3H,(H,10,11);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
RIHQCXQQFQCSHW-UHFFFAOYSA-L
Compound name
[dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxystannyl]oxystannyl] 3,5-difluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

798.10126 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.10854 287.1
[M+Na]+ 821.09048 288.1
[M-H]- 797.09398 284.7
[M+NH4]+ 816.13508 288.0
[M+K]+ 837.06442 281.9
[M+H-H2O]+ 781.09852 271.4
[M+HCOO]- 843.09946 294.4
[M+CH3COO]- 857.11511 267.2
[M+Na-2H]- 819.07593 276.3
[M]+ 798.10071 292.4
[M]- 798.10181 292.4
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.