CID 16683203

Nsc643859

Structural Information

Molecular Formula
C28H40F2O5Sn2
SMILES
CCC[Sn](CCC)(OC(=O)CC1=CC=C(C=C1)F)O[Sn](CCC)(CCC)OC(=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/2C8H7FO2.4C3H7.O.2Sn/c2*9-7-3-1-6(2-4-7)5-8(10)11;4*1-3-2;;;/h2*1-4H,5H2,(H,10,11);4*1,3H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKey
RFPWTNXAJAFLFR-UHFFFAOYSA-L
Compound name
[[[2-(4-fluorophenyl)acetyl]oxy-dipropylstannyl]oxy-dipropylstannyl] 2-(4-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

734.0888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.09608 272.6
[M+Na]+ 757.07802 272.5
[M-H]- 733.08152 272.5
[M+NH4]+ 752.12262 275.7
[M+K]+ 773.05196 267.4
[M+H-H2O]+ 717.08606 258.7
[M+HCOO]- 779.08700 282.8
[M+CH3COO]- 793.10265 254.1
[M+Na-2H]- 755.06347 265.2
[M]+ 734.08825 278.8
[M]- 734.08935 278.8
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.