CID 142476683

2460755-77-3

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

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

InChI

InChI=1S/C10H14FNO/c1-3-13-10-5-8(7(2)12)4-9(11)6-10/h4-7H,3,12H2,1-2H3

InChIKey

ZBICCIZHLQCGOR-UHFFFAOYSA-N

Compound name

1-(3-ethoxy-5-fluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.10594 Da
Monoisotopic Mass: 1.6
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]+	184.113216	138.8
[M+Na]+	206.095158	146.6
[M-H]-	182.098664	141.0
[M+NH4]+	201.139763	158.7
[M+K]+	222.069098	144.6
[M+H-H2O]+	166.103200	132.1
[M+HCOO]-	228.104141	161.6
[M+CH3COO]-	242.119791	186.4
[M+Na-2H]-	204.080606	142.5
[M]+	183.10539142	137.8
[M]-	183.10648858	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe