CID 154699915

Ns00117637

Structural Information

Molecular Formula

C₁₄H₁₃Cl₂NO₂

SMILES

C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)O)CCO)Cl

InChI

InChI=1S/C14H13Cl2NO2/c15-11-2-1-3-12(16)14(11)17-13-5-4-10(19)8-9(13)6-7-18/h1-5,8,17-19H,6-7H2

InChIKey

QXCJJTXPLFSTFY-UHFFFAOYSA-N

Compound name

4-(2,6-dichloroanilino)-3-(2-hydroxyethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.03235 Da
Monoisotopic Mass: 4.1
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]+	298.039626	162.5
[M+Na]+	320.021568	172.2
[M-H]-	296.025074	166.5
[M+NH4]+	315.066173	178.1
[M+K]+	335.995508	164.7
[M+H-H2O]+	280.029610	157.5
[M+HCOO]-	342.030551	175.7
[M+CH3COO]-	356.046201	198.9
[M+Na-2H]-	318.007016	165.9
[M]+	297.03180142	165.2
[M]-	297.03289858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.