CID 17039863

948293-25-2

Structural Information

Molecular Formula

C₉H₆Cl₂N₂

SMILES

C1=CC(=C(C2=NC=CC(=C21)N)Cl)Cl

InChI

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

InChIKey

LTNLLDGKTSLFRZ-UHFFFAOYSA-N

Compound name

7,8-dichloroquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	212.998076	139.5
[M+Na]+	234.980018	151.5
[M-H]-	210.983524	142.1
[M+NH4]+	230.024623	159.3
[M+K]+	250.953958	145.1
[M+H-H2O]+	194.988060	134.6
[M+HCOO]-	256.989001	153.3
[M+CH3COO]-	271.004651	152.9
[M+Na-2H]-	232.965466	146.8
[M]+	211.99025142	141.3
[M]-	211.99134858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe