CID 112846

62476-56-6

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: 610
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]+	162.982436	126.5
[M+Na]+	184.964378	137.6
[M-H]-	160.967884	128.2
[M+NH4]+	180.008983	147.0
[M+K]+	200.938318	132.8
[M+H-H2O]+	144.972420	122.2
[M+HCOO]-	206.973361	141.6
[M+CH3COO]-	220.989011	177.0
[M+Na-2H]-	182.949826	133.4
[M]+	161.97461142	127.2
[M]-	161.97570858	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe