CID 22241473

4-chloro-2-(chloromethyl)quinoline

Structural Information

Molecular Formula

C₁₀H₇Cl₂N

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)CCl)Cl

InChI

InChI=1S/C10H7Cl2N/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,6H2

InChIKey

BEDVIIYPOFMZRE-UHFFFAOYSA-N

Compound name

4-chloro-2-(chloromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 210.99556 Da
Monoisotopic Mass: 3.5
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]+	212.00284	139.0
[M+Na]+	233.98478	156.7
[M+NH4]+	229.02938	149.9
[M+K]+	249.95872	146.8
[M-H]-	209.98828	142.8
[M+Na-2H]-	231.97023	148.3
[M]+	210.99501	143.5
[M]-	210.99611	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe