CID 101494

5-bromo-2-hydroxypyrimidine

Structural Information

Molecular Formula

C₄H₃BrN₂O

SMILES

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

InChI

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

InChIKey

VTUDATOSQGYWML-UHFFFAOYSA-N

Compound name

5-bromo-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 653
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	120.6
[M+Na]+	196.93211	134.0
[M-H]-	172.93561	123.7
[M+NH4]+	191.97671	141.4
[M+K]+	212.90605	123.0
[M+H-H2O]+	156.94015	120.7
[M+HCOO]-	218.94109	140.8
[M+CH3COO]-	232.95674	172.6
[M+Na-2H]-	194.91756	131.5
[M]+	173.94234	137.8
[M]-	173.94344	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe