CID 16783735

2-(cyclopentyloxy)-4-fluoroaniline

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

C1CCC(C1)OC2=C(C=CC(=C2)F)N

InChI

InChI=1S/C11H14FNO/c12-8-5-6-10(13)11(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2

InChIKey

OZKPFCQCDYGDBH-UHFFFAOYSA-N

Compound name

2-cyclopentyloxy-4-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 195.10594 Da
Monoisotopic Mass: 2.6
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]+	196.113216	140.6
[M+Na]+	218.095158	147.4
[M-H]-	194.098664	145.5
[M+NH4]+	213.139763	161.3
[M+K]+	234.069098	144.4
[M+H-H2O]+	178.103200	133.3
[M+HCOO]-	240.104141	163.5
[M+CH3COO]-	254.119791	184.7
[M+Na-2H]-	216.080606	143.2
[M]+	195.10539142	135.9
[M]-	195.10648858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe