CID 53467

Fluzinamide

Structural Information

Molecular Formula

C₁₂H₁₃F₃N₂O₂

SMILES

CNC(=O)N1CC(C1)OC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O2/c1-16-11(18)17-6-10(7-17)19-9-4-2-3-8(5-9)12(13,14)15/h2-5,10H,6-7H2,1H3,(H,16,18)

InChIKey

YULWJRNIKFFGNU-UHFFFAOYSA-N

Compound name

N-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 288
Patents: 274.09293 Da
Monoisotopic Mass: 1.9
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]+	275.100206	160.2
[M+Na]+	297.082148	166.0
[M-H]-	273.085654	161.4
[M+NH4]+	292.126753	168.3
[M+K]+	313.056088	166.5
[M+H-H2O]+	257.090190	144.7
[M+HCOO]-	319.091131	176.4
[M+CH3COO]-	333.106781	201.7
[M+Na-2H]-	295.067596	162.6
[M]+	274.09238142	164.6
[M]-	274.09347858	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe