CID 622906

Reduced 2,6-dichlorophenolindophenol

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₂

SMILES

C1=CC(=CC=C1NC2=CC(=C(C(=C2)Cl)O)Cl)O

InChI

InChI=1S/C12H9Cl2NO2/c13-10-5-8(6-11(14)12(10)17)15-7-1-3-9(16)4-2-7/h1-6,15-17H

InChIKey

IFTGQCOAUCEONK-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(4-hydroxyanilino)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 269.00104 Da
Monoisotopic Mass: 4.2
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]+	270.00832	154.8
[M+Na]+	291.99026	170.7
[M+NH4]+	287.03486	163.7
[M+K]+	307.96420	162.5
[M-H]-	267.99376	159.2
[M+Na-2H]-	289.97571	163.6
[M]+	269.00049	159.0
[M]-	269.00159	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe