CID 89888

4-amino-3,5-dichloropyridine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂

SMILES

C1=C(C(=C(C=N1)Cl)N)Cl

InChI

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

InChIKey

ISIQAMHROGZHOV-UHFFFAOYSA-N

Compound name

3,5-dichloropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 858
Patents: 161.97516 Da
Monoisotopic Mass: 1.4
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