CID 7131478

4-(4-fluorophenoxy)butan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

C1=CC(=CC=C1OCCCCN)F

InChI

InChI=1S/C10H14FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2

InChIKey

QSHUIHTYAZHNNK-UHFFFAOYSA-N

Compound name

4-(4-fluorophenoxy)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 183.10594 Da
Monoisotopic Mass: 1.9
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]+	184.113216	138.5
[M+Na]+	206.095158	145.6
[M-H]-	182.098664	140.2
[M+NH4]+	201.139763	158.0
[M+K]+	222.069098	143.0
[M+H-H2O]+	166.103200	131.4
[M+HCOO]-	228.104141	162.3
[M+CH3COO]-	242.119791	184.3
[M+Na-2H]-	204.080606	144.1
[M]+	183.10539142	137.7
[M]-	183.10648858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe