CID 9814248

289717-26-6

Structural Information

Molecular Formula

C₁₅H₁₅ClFNO

SMILES

CC(C1=C(C=CC(=C1)F)OC2=CC=C(C=C2)Cl)NC

InChI

InChI=1S/C15H15ClFNO/c1-10(18-2)14-9-12(17)5-8-15(14)19-13-6-3-11(16)4-7-13/h3-10,18H,1-2H3

InChIKey

WJHPAIHCWWZGFM-UHFFFAOYSA-N

Compound name

1-[2-(4-chlorophenoxy)-5-fluorophenyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 279.0826 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]+	280.08988	160.8
[M+Na]+	302.07182	169.5
[M-H]-	278.07532	166.4
[M+NH4]+	297.11642	177.7
[M+K]+	318.04576	164.1
[M+H-H2O]+	262.07986	153.2
[M+HCOO]-	324.08080	179.5
[M+CH3COO]-	338.09645	202.6
[M+Na-2H]-	300.05727	164.2
[M]+	279.08205	162.8
[M]-	279.08315	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe