CID 91747

Fluxofenim

Structural Information

Molecular Formula

C₁₂H₁₁ClF₃NO₃

SMILES

C1COC(O1)CON=C(C2=CC=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2

InChIKey

UKSLKNUCVPZQCQ-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 13910
Patents: 309.03796 Da
Monoisotopic Mass: 3.9
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]+	310.04524	164.6
[M+Na]+	332.02718	171.9
[M-H]-	308.03068	169.5
[M+NH4]+	327.07178	179.3
[M+K]+	348.00112	170.3
[M+H-H2O]+	292.03522	156.0
[M+HCOO]-	354.03616	178.6
[M+CH3COO]-	368.05181	202.4
[M+Na-2H]-	330.01263	168.4
[M]+	309.03741	164.7
[M]-	309.03851	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe