CID 112846

3-amino-2,6-dichloropyridine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂

SMILES

C1=CC(=NC(=C1N)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2

InChIKey

MJVZSRZTBDMYLX-UHFFFAOYSA-N

Compound name

2,6-dichloropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 681
Patents: 161.97516 Da
Monoisotopic Mass: 1.5
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]+	162.98244	125.8
[M+Na]+	184.96438	140.8
[M+NH4]+	180.00898	135.4
[M+K]+	200.93832	133.4
[M-H]-	160.96788	128.4
[M+Na-2H]-	182.94983	134.0
[M]+	161.97461	129.3
[M]-	161.97571	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe