CID 487545

5-phenoxyquinoline

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

C1=CC=C(C=C1)OC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C15H11NO/c1-2-6-12(7-3-1)17-15-10-4-9-14-13(15)8-5-11-16-14/h1-11H

InChIKey

AXOTZWUWSGDUGZ-UHFFFAOYSA-N

Compound name

5-phenoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 221.08406 Da
Monoisotopic Mass: 4.2
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]+	222.091336	147.1
[M+Na]+	244.073278	155.6
[M-H]-	220.076784	153.3
[M+NH4]+	239.117883	164.7
[M+K]+	260.047218	151.0
[M+H-H2O]+	204.081320	138.5
[M+HCOO]-	266.082261	169.8
[M+CH3COO]-	280.097911	160.0
[M+Na-2H]-	242.058726	157.2
[M]+	221.08351142	147.4
[M]-	221.08460858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe