CID 1415863

22137-52-6

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

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

InChI

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

InChIKey

NQYNSMVHXHIGHZ-UHFFFAOYSA-N

Compound name

3,5-dichloro-6-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 175.9908 Da
Monoisotopic Mass: 2.2
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]+	176.99808	131.1
[M+Na]+	198.98002	142.7
[M-H]-	174.98352	133.0
[M+NH4]+	194.02462	151.4
[M+K]+	214.95396	137.7
[M+H-H2O]+	158.98806	126.9
[M+HCOO]-	220.98900	145.9
[M+CH3COO]-	235.00465	181.1
[M+Na-2H]-	196.96547	136.7
[M]+	175.99025	132.5
[M]-	175.99135	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe