CID 16307

3,3'-dichlorobiphenyl

Structural Information

Molecular Formula

C₁₂H₈Cl₂

SMILES

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

InChI

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

InChIKey

KTXUOWUHFLBZPW-UHFFFAOYSA-N

Compound name

1-chloro-3-(3-chlorophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 37
References: 411
Patents: 222.0003 Da
Monoisotopic Mass: 5.2
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