CID 2799999

3-amino-2,5-dichloropyridine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂

SMILES

C1=C(C=NC(=C1N)Cl)Cl

InChI

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

InChIKey

OLZPJUVEGSNIJL-UHFFFAOYSA-N

Compound name

2,5-dichloropyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 426
Patents: 161.97516 Da
Monoisotopic Mass: 1.8
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	126.5
[M+Na]+	184.96438	137.6
[M-H]-	160.96788	128.2
[M+NH4]+	180.00898	147.0
[M+K]+	200.93832	132.8
[M+H-H2O]+	144.97242	122.2
[M+HCOO]-	206.97336	141.6
[M+CH3COO]-	220.98901	177.0
[M+Na-2H]-	182.94983	133.4
[M]+	161.97461	127.2
[M]-	161.97571	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe