CID 235549

4'-chloro-2-nitrobiphenyl

Structural Information

Molecular Formula

C₁₂H₈ClNO₂

SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8ClNO2/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14(15)16/h1-8H

InChIKey

OMNWKPZIFZJANV-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 233.02435 Da
Monoisotopic Mass: 4.3
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]+	234.03163	146.2
[M+Na]+	256.01357	163.7
[M+NH4]+	251.05817	156.3
[M+K]+	271.98751	157.4
[M-H]-	232.01707	153.0
[M+Na-2H]-	253.99902	156.9
[M]+	233.02380	151.1
[M]-	233.02490	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe