CID 36399

2,4-dichlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Cl₂

SMILES

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

InChI

InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

InChIKey

WEJZHZJJXPXXMU-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 335
Patents: 222.0003 Da
Monoisotopic Mass: 5.3
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]+	223.007576	142.6
[M+Na]+	244.989518	153.3
[M-H]-	220.993024	148.9
[M+NH4]+	240.034123	162.4
[M+K]+	260.963458	146.6
[M+H-H2O]+	204.997560	137.5
[M+HCOO]-	266.998501	157.9
[M+CH3COO]-	281.014151	156.3
[M+Na-2H]-	242.974966	149.1
[M]+	221.99975142	145.2
[M]-	222.00084858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe