CID 16022

4-bromo-2,5-dichlorophenol

Structural Information

Molecular Formula

C₆H₃BrCl₂O

SMILES

C1=C(C(=CC(=C1Cl)Br)Cl)O

InChI

InChI=1S/C6H3BrCl2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H

InChIKey

HWWKEEKUMAZJLL-UHFFFAOYSA-N

Compound name

4-bromo-2,5-dichlorophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 18
References: 423
Patents: 239.87444 Da
Monoisotopic Mass: 3.8
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]+	240.88172	136.5
[M+Na]+	262.86366	142.8
[M+NH4]+	257.90826	142.6
[M+K]+	278.83760	141.3
[M-H]-	238.86716	137.4
[M+Na-2H]-	260.84911	141.0
[M]+	239.87389	137.1
[M]-	239.87499	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe