CID 108800

2,7-dichloro-4-methylquinoline

Structural Information

Molecular Formula

C₁₀H₇Cl₂N

SMILES

CC1=CC(=NC2=C1C=CC(=C2)Cl)Cl

InChI

InChI=1S/C10H7Cl2N/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,1H3

InChIKey

FTONSAARTKYOAV-UHFFFAOYSA-N

Compound name

2,7-dichloro-4-methylquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 210.99556 Da
Monoisotopic Mass: 4.1
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	138.8
[M+Na]+	233.98478	156.9
[M+NH4]+	229.02938	149.7
[M+K]+	249.95872	147.2
[M-H]-	209.98828	142.6
[M+Na-2H]-	231.97023	147.9
[M]+	210.99501	143.4
[M]-	210.99611	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe