CID 70946

5-chloropyrimidine-4,6-diol

Structural Information

Molecular Formula

C₄H₃ClN₂O₂

SMILES

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

InChI

InChI=1S/C4H3ClN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)

InChIKey

VZKFMOMJNOUARI-UHFFFAOYSA-N

Compound name

5-chloro-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 145.98831 Da
Monoisotopic Mass: 0.0
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]+	146.99559	122.2
[M+Na]+	168.97753	136.2
[M+NH4]+	164.02213	129.6
[M+K]+	184.95147	130.9
[M-H]-	144.98103	121.8
[M+Na-2H]-	166.96298	128.7
[M]+	145.98776	124.1
[M]-	145.98886	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe