CID 56643075

5-chloro-8-[(3-chlorobenzyl)oxy]quinoline

Structural Information

Molecular Formula

C₁₆H₁₁Cl₂NO

SMILES

C1=CC(=CC(=C1)Cl)COC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2

InChIKey

BIHPUIBBWFPTCY-UHFFFAOYSA-N

Compound name

5-chloro-8-[(3-chlorophenyl)methoxy]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 303.02176 Da
Monoisotopic Mass: 4.8
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]+	304.02904	164.1
[M+Na]+	326.01098	175.1
[M-H]-	302.01448	169.6
[M+NH4]+	321.05558	180.2
[M+K]+	341.98492	167.7
[M+H-H2O]+	286.01902	156.4
[M+HCOO]-	348.01996	176.6
[M+CH3COO]-	362.03561	176.0
[M+Na-2H]-	323.99643	170.7
[M]+	303.02121	169.1
[M]-	303.02231	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe