CID 23391118

Melt

Structural Information

Molecular Formula

C₁₉H₁₅Cl

SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15Cl/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-13H,1H3

InChIKey

JSHCAIOOBGHFKD-UHFFFAOYSA-N

Compound name

1-chloro-4-[4-(4-methylphenyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 278.08624 Da
Monoisotopic Mass: 6.6
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	163.4
[M+Na]+	301.075458	172.9
[M-H]-	277.078964	173.1
[M+NH4]+	296.120063	180.2
[M+K]+	317.049398	165.4
[M+H-H2O]+	261.083500	155.4
[M+HCOO]-	323.084441	182.7
[M+CH3COO]-	337.100091	176.1
[M+Na-2H]-	299.060906	168.4
[M]+	278.08569142	165.0
[M]-	278.08678858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe