CID 16752772

Flupyradifurone

Structural Information

Molecular Formula

C₁₂H₁₁ClF₂N₂O₂

SMILES

C1C(=CC(=O)O1)N(CC2=CN=C(C=C2)Cl)CC(F)F

InChI

InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2

InChIKey

QOIYTRGFOFZNKF-UHFFFAOYSA-N

Compound name

3-[(6-chloropyridin-3-yl)methyl-(2,2-difluoroethyl)amino]-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 92
References: 10008
Patents: 288.0477 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.05498	160.3
[M+Na]+	311.03692	168.5
[M-H]-	287.04042	164.9
[M+NH4]+	306.08152	176.0
[M+K]+	327.01086	165.7
[M+H-H2O]+	271.04496	151.0
[M+HCOO]-	333.04590	176.8
[M+CH3COO]-	347.06155	202.6
[M+Na-2H]-	309.02237	161.9
[M]+	288.04715	161.9
[M]-	288.04825	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe