CID 16683202

Nsc643858

Structural Information

Molecular Formula
C24H30F2O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)CC1=CC=C(C=C1)F)OC(=O)CC2=CC=C(C=C2)F
InChI
InChI=1S/2C8H7FO2.2C4H9.Sn/c2*9-7-3-1-6(2-4-7)5-8(10)11;2*1-3-4-2;/h2*1-4H,5H2,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
RPNGBVBSFYVLTC-UHFFFAOYSA-L
Compound name
[dibutyl-[2-(4-fluorophenyl)acetyl]oxystannyl] 2-(4-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.1134 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.12068 228.0
[M+Na]+ 563.10262 231.0
[M-H]- 539.10612 229.7
[M+NH4]+ 558.14722 236.0
[M+K]+ 579.07656 225.9
[M+H-H2O]+ 523.11066 215.8
[M+HCOO]- 585.11160 242.7
[M+CH3COO]- 599.12725 233.4
[M+Na-2H]- 561.08807 223.8
[M]+ 540.11285 231.7
[M]- 540.11395 231.7
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.