CID 2769421

6-bromo-2,4,5-trichlorophenol

Structural Information

Molecular Formula

C₆H₂BrCl₃O

SMILES

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

InChI

InChI=1S/C6H2BrCl3O/c7-4-5(10)2(8)1-3(9)6(4)11/h1,11H

InChIKey

IFXJBIXHNZHYGK-UHFFFAOYSA-N

Compound name

2-bromo-3,4,6-trichlorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 273.83545 Da
Monoisotopic Mass: 4.5
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]+	274.84273	136.4
[M+Na]+	296.82467	152.6
[M-H]-	272.82817	140.9
[M+NH4]+	291.86927	157.8
[M+K]+	312.79861	137.9
[M+H-H2O]+	256.83271	140.0
[M+HCOO]-	318.83365	143.7
[M+CH3COO]-	332.84930	190.6
[M+Na-2H]-	294.81012	142.3
[M]+	273.83490	156.7
[M]-	273.83600	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe