CID 19754184

133062-53-0

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

CC1=NC(=CC(=O)N1C2=CC=CC=C2)Cl

InChI

InChI=1S/C11H9ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h2-7H,1H3

InChIKey

JZCUVRPSUKLRHT-UHFFFAOYSA-N

Compound name

6-chloro-2-methyl-3-phenylpyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 220.04034 Da
Monoisotopic Mass: 1.9
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]+	221.04762	143.3
[M+Na]+	243.02956	155.1
[M-H]-	219.03306	148.0
[M+NH4]+	238.07416	160.2
[M+K]+	259.00350	149.7
[M+H-H2O]+	203.03760	135.6
[M+HCOO]-	265.03854	161.7
[M+CH3COO]-	279.05419	156.9
[M+Na-2H]-	241.01501	150.4
[M]+	220.03979	146.2
[M]-	220.04089	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe