CID 99446

2-amino-3,4-dichloroquinoline

Structural Information

Molecular Formula

C₉H₆Cl₂N₂

SMILES

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

InChI

InChI=1S/C9H6Cl2N2/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4H,(H2,12,13)

InChIKey

TZFJDFLGRAVDCT-UHFFFAOYSA-N

Compound name

3,4-dichloroquinolin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 211.9908 Da
Monoisotopic Mass: 3.1
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]+	212.99808	138.7
[M+Na]+	234.98002	155.4
[M+NH4]+	230.02462	149.1
[M+K]+	250.95396	146.5
[M-H]-	210.98352	142.5
[M+Na-2H]-	232.96547	147.2
[M]+	211.99025	142.9
[M]-	211.99135	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe