CID 4189537

4-(phenylazo)-2,6-dichlorophenol

Structural Information

Molecular Formula

C₁₂H₈Cl₂N₂O

SMILES

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

InChI

InChI=1S/C12H8Cl2N2O/c13-10-6-9(7-11(14)12(10)17)16-15-8-4-2-1-3-5-8/h1-7,17H

InChIKey

HRLZISUICSZYBI-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-phenyldiazenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.00137 Da
Monoisotopic Mass: 4.6
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]+	267.00865	155.4
[M+Na]+	288.99059	165.9
[M-H]-	264.99409	163.2
[M+NH4]+	284.03519	173.6
[M+K]+	304.96453	160.0
[M+H-H2O]+	248.99863	149.3
[M+HCOO]-	310.99957	174.6
[M+CH3COO]-	325.01522	200.5
[M+Na-2H]-	286.97604	161.9
[M]+	266.00082	159.5
[M]-	266.00192	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe