PubChemLite - 1707-68-2 (C42H28Cl2N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)N4C(=C(N=C4C5=CC=CC=C5Cl)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-37(29-17-5-1-6-18-29)39(31-21-9-3-10-22-31)47(41)48-40(32-23-11-4-12-24-32)38(30-19-7-2-8-20-30)46-42(48)34-26-14-16-28-36(34)44/h1-28H

InChIKey

VOKXCKZXSBBOPC-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole

Related CIDs

2D Structure

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]+	659.17638	268.3
[M+Na]+	681.15832	293.7
[M+NH4]+	676.20292	276.5
[M+K]+	697.13226	280.4
[M-H]-	657.16182	284.0
[M+Na-2H]-	679.14377	285.6
[M]+	658.16855	277.8
[M]-	658.16965	277.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

659.17638

268.3

[M+Na]+

681.15832

293.7

[M+NH4]+

676.20292

276.5

[M+K]+

697.13226

280.4

[M-H]-

657.16182

284.0

[M+Na-2H]-

679.14377

285.6

[M]+

658.16855

277.8

[M]-

658.16965

277.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1707-68-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe