CID 11899

2,4-dichloronitrobenzene

Structural Information

Molecular Formula

C₆H₃Cl₂NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

InChIKey

QUIMTLZDMCNYGY-UHFFFAOYSA-N

Compound name

2,4-dichloro-1-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 24
References: 1712
Patents: 190.95409 Da
Monoisotopic Mass: 3.1
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]+	191.961366	133.0
[M+Na]+	213.943308	142.8
[M-H]-	189.946814	136.2
[M+NH4]+	208.987913	153.2
[M+K]+	229.917248	135.0
[M+H-H2O]+	173.951350	134.5
[M+HCOO]-	235.952291	149.9
[M+CH3COO]-	249.967941	174.7
[M+Na-2H]-	211.928756	140.4
[M]+	190.95354142	134.6
[M]-	190.95463858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe