CID 12052160

4,6-dichloro-2-methoxypyrimidine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

COC1=NC(=CC(=N1)Cl)Cl

InChI

InChI=1S/C5H4Cl2N2O/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3

InChIKey

WDELVDLDINRUQF-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 177.97006 Da
Monoisotopic Mass: 2.4
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]+	178.97734	128.7
[M+Na]+	200.95928	144.5
[M+NH4]+	196.00388	137.6
[M+K]+	216.93322	137.3
[M-H]-	176.96278	130.0
[M+Na-2H]-	198.94473	136.8
[M]+	177.96951	132.0
[M]-	177.97061	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe