CID 20621

4526-56-1

Structural Information

Molecular Formula

C₆H₃Br₂ClO

SMILES

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

InChI

InChI=1S/C6H3Br2ClO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

MQSIWVCWTVYFDP-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-chlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 283.8239 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]+	284.83118	133.2
[M+Na]+	306.81312	146.7
[M-H]-	282.81662	139.6
[M+NH4]+	301.85772	153.5
[M+K]+	322.78706	129.5
[M+H-H2O]+	266.82116	142.6
[M+HCOO]-	328.82210	145.8
[M+CH3COO]-	342.83775	198.2
[M+Na-2H]-	304.79857	140.7
[M]+	283.82335	168.0
[M]-	283.82445	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe