CID 66997355

1035689-60-1

Structural Information

Molecular Formula

C₁₄H₁₄FNO

SMILES

CCOC1=CC=CC(=C1)C2=CC(=C(C=C2)N)F

InChI

InChI=1S/C14H14FNO/c1-2-17-12-5-3-4-10(8-12)11-6-7-14(16)13(15)9-11/h3-9H,2,16H2,1H3

InChIKey

ULFLHZVDFOHESL-UHFFFAOYSA-N

Compound name

4-(3-ethoxyphenyl)-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 231.10594 Da
Monoisotopic Mass: 3.3
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]+	232.113216	150.2
[M+Na]+	254.095158	158.9
[M-H]-	230.098664	155.7
[M+NH4]+	249.139763	168.0
[M+K]+	270.069098	154.7
[M+H-H2O]+	214.103200	142.1
[M+HCOO]-	276.104141	174.2
[M+CH3COO]-	290.119791	194.4
[M+Na-2H]-	252.080606	154.9
[M]+	231.10539142	149.2
[M]-	231.10648858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe