CID 10352351

2-benzoylpyrimidine

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=NC=CC=N2

InChI

InChI=1S/C11H8N2O/c14-10(9-5-2-1-3-6-9)11-12-7-4-8-13-11/h1-8H

InChIKey

KFGGAFBXJXIXCC-UHFFFAOYSA-N

Compound name

phenyl(pyrimidin-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 184.06366 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]+	185.07094	137.4
[M+Na]+	207.05288	145.3
[M-H]-	183.05638	141.3
[M+NH4]+	202.09748	153.8
[M+K]+	223.02682	142.1
[M+H-H2O]+	167.06092	128.7
[M+HCOO]-	229.06186	159.5
[M+CH3COO]-	243.07751	150.3
[M+Na-2H]-	205.03833	146.1
[M]+	184.06311	136.4
[M]-	184.06421	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe