CID 17039648

917562-04-0

Structural Information

Molecular Formula

C₁₀H₈Cl₂N₂

SMILES

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

InChI

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

InChIKey

LYJNAWSOSQSLIL-UHFFFAOYSA-N

Compound name

5,8-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	144.4
[M+Na]+	248.99567	156.9
[M-H]-	224.99917	147.2
[M+NH4]+	244.04027	164.0
[M+K]+	264.96961	150.4
[M+H-H2O]+	209.00371	139.6
[M+HCOO]-	271.00465	157.8
[M+CH3COO]-	285.02030	157.7
[M+Na-2H]-	246.98112	150.4
[M]+	226.00590	147.0
[M]-	226.00700	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe