CID 87450

Triphenylchloroethylene

Structural Information

Molecular Formula

C₂₀H₁₅Cl

SMILES

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

InChI

InChI=1S/C20H15Cl/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H

InChIKey

QEQFTTCZLHLKFX-UHFFFAOYSA-N

Compound name

(1-chloro-2,2-diphenylethenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 290.08624 Da
Monoisotopic Mass: 6.5
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]+	291.09352	167.6
[M+Na]+	313.07546	173.5
[M-H]-	289.07896	176.1
[M+NH4]+	308.12006	182.7
[M+K]+	329.04940	166.0
[M+H-H2O]+	273.08350	159.2
[M+HCOO]-	335.08444	184.7
[M+CH3COO]-	349.10009	178.5
[M+Na-2H]-	311.06091	171.8
[M]+	290.08569	166.3
[M]-	290.08679	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe