CID 16767412

4-amino-6,8-dichloroquinoline

Structural Information

Molecular Formula

C₉H₆Cl₂N₂

SMILES

C1=CN=C2C(=CC(=CC2=C1N)Cl)Cl

InChI

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

InChIKey

LWGSDQPVVLEBKP-UHFFFAOYSA-N

Compound name

6,8-dichloroquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 211.9908 Da
Monoisotopic Mass: 2.8
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]+	212.99808	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