CID 3042996

1h-imidazole, 1-(4-chlorobenzoyl)-2-phenyl-

Structural Information

Molecular Formula

C₁₆H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)C2=NC=CN2C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H11ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-11H

InChIKey

YUJCWKIOCRLJEG-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(2-phenylimidazol-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.056 Da
Monoisotopic Mass: 3.8
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]+	283.063276	162.8
[M+Na]+	305.045218	172.4
[M-H]-	281.048724	170.2
[M+NH4]+	300.089823	178.1
[M+K]+	321.019158	165.9
[M+H-H2O]+	265.053260	153.5
[M+HCOO]-	327.054201	180.6
[M+CH3COO]-	341.069851	174.9
[M+Na-2H]-	303.030666	166.2
[M]+	282.05545142	164.7
[M]-	282.05654858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.