PubChemLite - 7189-82-4 (C42H28Cl2N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=CC=C3Cl)C4(N=C(C(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7Cl)C8=CC=CC=C8

InChI

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

InChIKey

MHDULSOPQSUKBQ-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-2-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	259.6
[M+Na]+	681.15832	267.7
[M-H]-	657.16182	276.1
[M+NH4]+	676.20292	258.5
[M+K]+	697.13226	255.0
[M+H-H2O]+	641.16636	239.4
[M+HCOO]-	703.16730	265.8
[M+CH3COO]-	717.18295	263.1
[M+Na-2H]-	679.14377	252.5
[M]+	658.16855	261.2
[M]-	658.16965	261.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

659.17638

259.6

[M+Na]+

681.15832

267.7

[M-H]-

657.16182

276.1

[M+NH4]+

676.20292

258.5

[M+K]+

697.13226

255.0

[M+H-H2O]+

641.16636

239.4

[M+HCOO]-

703.16730

265.8

[M+CH3COO]-

717.18295

263.1

[M+Na-2H]-

679.14377

252.5

[M]+

658.16855

261.2

[M]-

658.16965

261.2

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

7189-82-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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