CID 4421332

5'-chloro-(1,1',3',1'')terphenyl

Structural Information

Molecular Formula

C₁₈H₁₃Cl

SMILES

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

InChI

InChI=1S/C18H13Cl/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H

InChIKey

JYJKHXKJEGJOPV-UHFFFAOYSA-N

Compound name

1-chloro-3,5-diphenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 264.0706 Da
Monoisotopic Mass: 5.8
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]+	265.07788	159.0
[M+Na]+	287.05982	168.0
[M-H]-	263.06332	168.5
[M+NH4]+	282.10442	176.0
[M+K]+	303.03376	160.7
[M+H-H2O]+	247.06786	151.1
[M+HCOO]-	309.06880	178.6
[M+CH3COO]-	323.08445	171.7
[M+Na-2H]-	285.04527	165.3
[M]+	264.07005	159.8
[M]-	264.07115	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe