CID 20513932

2,4-dichloro-3-nitrophenol

Structural Information

Molecular Formula

C₆H₃Cl₂NO₃

SMILES

C1=CC(=C(C(=C1O)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H

InChIKey

GLNRZGZHZYONRE-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 206.949 Da
Monoisotopic Mass: 2.7
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]+	207.95628	134.9
[M+Na]+	229.93822	145.1
[M-H]-	205.94172	137.2
[M+NH4]+	224.98282	154.0
[M+K]+	245.91216	136.9
[M+H-H2O]+	189.94626	136.9
[M+HCOO]-	251.94720	150.6
[M+CH3COO]-	265.96285	175.0
[M+Na-2H]-	227.92367	141.4
[M]+	206.94845	136.4
[M]-	206.94955	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe