CID 162345479

Ns00133310

Structural Information

Molecular Formula

C₁₃H₁₁Cl₂NO₂

SMILES

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

InChI

InChI=1S/C13H11Cl2NO2/c14-10-2-1-3-11(15)13(10)16-12-5-4-9(18)6-8(12)7-17/h1-6,16-18H,7H2

InChIKey

RYNXIHMANHXDPU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.0167 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]+	284.023976	158.0
[M+Na]+	306.005918	168.1
[M-H]-	282.009424	162.1
[M+NH4]+	301.050523	174.1
[M+K]+	321.979858	160.8
[M+H-H2O]+	266.013960	153.2
[M+HCOO]-	328.014901	171.5
[M+CH3COO]-	342.030551	196.0
[M+Na-2H]-	303.991366	161.9
[M]+	283.01615142	160.3
[M]-	283.01724858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.