CID 65522

2-amino-4,6-dichloropyrimidine

Structural Information

Molecular Formula

C₄H₃Cl₂N₃

SMILES

C1=C(N=C(N=C1Cl)N)Cl

InChI

InChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)

InChIKey

JPZOAVGMSDSWSW-UHFFFAOYSA-N

Compound name

4,6-dichloropyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 3293
Patents: 162.9704 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]+	163.97768	125.6
[M+Na]+	185.95962	140.5
[M+NH4]+	181.00422	134.5
[M+K]+	201.93356	133.6
[M-H]-	161.96312	127.4
[M+Na-2H]-	183.94507	133.6
[M]+	162.96985	128.7
[M]-	162.97095	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe