CID 3042995

Brn 0917159

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂

SMILES

C1=CC=C(C=C1)C2=NC=CN2CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-11H,12H2

InChIKey

UWOPOTLAMWFICY-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methyl]-2-phenylimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.07672 Da
Monoisotopic Mass: 3.9
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]+	269.083996	160.3
[M+Na]+	291.065938	170.0
[M-H]-	267.069444	167.3
[M+NH4]+	286.110543	176.3
[M+K]+	307.039878	163.0
[M+H-H2O]+	251.073980	150.8
[M+HCOO]-	313.074921	178.7
[M+CH3COO]-	327.090571	172.6
[M+Na-2H]-	289.051386	164.8
[M]+	268.07617142	162.0
[M]-	268.07726858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe