CID 36981

3,5-dichlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Cl₂

SMILES

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

InChI

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

InChIKey

QHZSDTDMQZPUKC-UHFFFAOYSA-N

Compound name

1,3-dichloro-5-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 265
Patents: 222.0003 Da
Monoisotopic Mass: 4.8
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]+	223.00758	143.9
[M+Na]+	244.98952	162.4
[M+NH4]+	240.03412	155.2
[M+K]+	260.96346	151.8
[M-H]-	220.99302	150.0
[M+Na-2H]-	242.97497	155.7
[M]+	221.99975	149.3
[M]-	222.00085	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe