CID 4590297

80143-71-1

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

COC1=CC=C(C=C1)CNC2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-9,16H,10H2,1H3

InChIKey

GSIXDRVRPADHPJ-UHFFFAOYSA-N

Compound name

4-fluoro-N-[(4-methoxyphenyl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10594 Da
Monoisotopic Mass: 3.5
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]+	232.113216	149.6
[M+Na]+	254.095158	157.3
[M-H]-	230.098664	155.2
[M+NH4]+	249.139763	167.3
[M+K]+	270.069098	153.3
[M+H-H2O]+	214.103200	141.2
[M+HCOO]-	276.104141	174.2
[M+CH3COO]-	290.119791	193.8
[M+Na-2H]-	252.080606	156.0
[M]+	231.10539142	149.1
[M]-	231.10648858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe