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: 32
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	153.4
[M+Na]+	291.99026	164.0
[M-H]-	267.99376	157.8
[M+NH4]+	287.03486	170.1
[M+K]+	307.96420	156.9
[M+H-H2O]+	251.99830	148.9
[M+HCOO]-	313.99924	167.3
[M+CH3COO]-	328.01489	193.1
[M+Na-2H]-	289.97571	157.9
[M]+	269.00049	155.4
[M]-	269.00159	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe