CID 111006

7515-73-3

Structural Information

Molecular Formula

C₁₉H₁₅Cl

SMILES

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

InChI

InChI=1S/C19H15Cl/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H

InChIKey

HSVIAUJGCMPSQO-UHFFFAOYSA-N

Compound name

1-[chloro(phenyl)methyl]-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 278.08624 Da
Monoisotopic Mass: 5.6
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]+	279.093516	163.6
[M+Na]+	301.075458	170.9
[M-H]-	277.078964	172.6
[M+NH4]+	296.120063	179.6
[M+K]+	317.049398	163.7
[M+H-H2O]+	261.083500	155.4
[M+HCOO]-	323.084441	181.9
[M+CH3COO]-	337.100091	175.4
[M+Na-2H]-	299.060906	168.9
[M]+	278.08569142	163.8
[M]-	278.08678858	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe