CID 318187

31430-47-4

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

CC1=C(C(=NC=C1Cl)N)Cl

InChI

InChI=1S/C6H6Cl2N2/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3,(H2,9,10)

InChIKey

KARIRGBBCOCBGU-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 175.9908 Da
Monoisotopic Mass: 2.1
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]+	176.99808	130.3
[M+Na]+	198.98002	145.4
[M+NH4]+	194.02462	139.8
[M+K]+	214.95396	138.0
[M-H]-	174.98352	133.0
[M+Na-2H]-	196.96547	138.0
[M]+	175.99025	133.8
[M]-	175.99135	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe