CID 88256

5-bromopyrimidin-4-ol

Structural Information

Molecular Formula

C₄H₃BrN₂O

SMILES

C1=C(C(=O)NC=N1)Br

InChI

InChI=1S/C4H3BrN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

InChIKey

CLJIGLPOBRSBNU-UHFFFAOYSA-N

Compound name

5-bromo-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 153
Patents: 173.94289 Da
Monoisotopic Mass: 0.2
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]+	174.95017	125.0
[M+Na]+	196.93211	129.2
[M+NH4]+	191.97671	129.4
[M+K]+	212.90605	129.7
[M-H]-	172.93561	124.2
[M+Na-2H]-	194.91756	129.3
[M]+	173.94234	124.0
[M]-	173.94344	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe