CID 43531961

4-chloro-6-phenoxyquinoline

Structural Information

Molecular Formula

C₁₅H₁₀ClNO

SMILES

C1=CC=C(C=C1)OC2=CC3=C(C=CN=C3C=C2)Cl

InChI

InChI=1S/C15H10ClNO/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-10H

InChIKey

JVTJCMGFQPGDDT-UHFFFAOYSA-N

Compound name

4-chloro-6-phenoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.04509 Da
Monoisotopic Mass: 4.3
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]+	256.05237	154.1
[M+Na]+	278.03431	173.0
[M+NH4]+	273.07891	164.9
[M+K]+	294.00825	162.5
[M-H]-	254.03781	160.3
[M+Na-2H]-	276.01976	165.9
[M]+	255.04454	159.3
[M]-	255.04564	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe