CID 66319

N-benzoylimidazole

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC=C(C=C1)C(=O)N2C=CN=C2

InChI

InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H

InChIKey

JEGIFBGJZPYMJS-UHFFFAOYSA-N

Compound name

imidazol-1-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1459
Patents: 172.06366 Da
Monoisotopic Mass: 1.3
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]+	173.070936	134.5
[M+Na]+	195.052878	142.9
[M-H]-	171.056384	138.8
[M+NH4]+	190.097483	153.5
[M+K]+	211.026818	140.4
[M+H-H2O]+	155.060920	126.4
[M+HCOO]-	217.061861	157.8
[M+CH3COO]-	231.077511	148.1
[M+Na-2H]-	193.038326	140.9
[M]+	172.06311142	134.0
[M]-	172.06420858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe