CID 71756057

4,5-dichloro-2-methoxypyrimidine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O

SMILES

COC1=NC=C(C(=N1)Cl)Cl

InChI

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

InChIKey

WUKCAHZEASJRLD-UHFFFAOYSA-N

Compound name

4,5-dichloro-2-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 177.97006 Da
Monoisotopic Mass: 2.1
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]+	178.977336	127.2
[M+Na]+	200.959278	139.1
[M-H]-	176.962784	128.0
[M+NH4]+	196.003883	146.3
[M+K]+	216.933218	135.3
[M+H-H2O]+	160.967320	121.8
[M+HCOO]-	222.968261	140.7
[M+CH3COO]-	236.983911	177.7
[M+Na-2H]-	198.944726	135.0
[M]+	177.96951142	131.4
[M]-	177.97060858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe