CID 119086323

1441422-23-6

Structural Information

Molecular Formula

C₅H₄BrClN₂O

SMILES

COC1=CN=C(N=C1Br)Cl

InChI

InChI=1S/C5H4BrClN2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3

InChIKey

BWEQPPNZSRRREM-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-5-methoxypyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.91956 Da
Monoisotopic Mass: 2.2
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]+	222.92684	134.8
[M+Na]+	244.90878	140.4
[M+NH4]+	239.95338	139.8
[M+K]+	260.88272	139.8
[M-H]-	220.91228	134.7
[M+Na-2H]-	242.89423	139.4
[M]+	221.91901	134.7
[M]-	221.92011	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.