CID 137244871

6-bromo-2-chloropyrimidin-4(1h)-one

Structural Information

Molecular Formula

C₄H₂BrClN₂O

SMILES

C1=C(N=C(NC1=O)Cl)Br

InChI

InChI=1S/C4H2BrClN2O/c5-2-1-3(9)8-4(6)7-2/h1H,(H,7,8,9)

InChIKey

FESKMMZBPCLQHE-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.9039 Da
Monoisotopic Mass: 1.2
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]+	208.91118	130.5
[M+Na]+	230.89312	135.8
[M+NH4]+	225.93772	135.1
[M+K]+	246.86706	135.6
[M-H]-	206.89662	129.7
[M+Na-2H]-	228.87857	134.6
[M]+	207.90335	130.0
[M]-	207.90445	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.