CID 17039645

917562-01-7

Structural Information

Molecular Formula

C₁₀H₈Cl₂N₂

SMILES

CC1=CC(=C2C=C(C=C(C2=N1)Cl)Cl)N

InChI

InChI=1S/C10H8Cl2N2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3,(H2,13,14)

InChIKey

XEUOBWNEEOZXBH-UHFFFAOYSA-N

Compound name

6,8-dichloro-2-methylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.00645 Da
Monoisotopic Mass: 3.2
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]+	227.01373	143.4
[M+Na]+	248.99567	160.2
[M+NH4]+	244.04027	153.6
[M+K]+	264.96961	151.3
[M-H]-	224.99917	147.2
[M+Na-2H]-	246.98112	151.3
[M]+	226.00590	147.6
[M]-	226.00700	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe