CID 2758222

6,7-dichloro-2-methylquinoline

Structural Information

Molecular Formula

C₁₀H₇Cl₂N

SMILES

CC1=NC2=CC(=C(C=C2C=C1)Cl)Cl

InChI

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

InChIKey

XYNNEGCJICWPFL-UHFFFAOYSA-N

Compound name

6,7-dichloro-2-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 210.99556 Da
Monoisotopic Mass: 3.8
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]+	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