CID 84790452

4-bromo-3-chloro-5-fluorophenol

Structural Information

Molecular Formula

SMILES

C1=C(C=C(C(=C1F)Br)Cl)O

InChI

InChI=1S/C6H3BrClFO/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H

InChIKey

DLIAVGVSFXDUAX-UHFFFAOYSA-N

Compound name

4-bromo-3-chloro-5-fluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.90398 Da
Monoisotopic Mass: 3.0
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]+	224.91126	131.4
[M+Na]+	246.89320	146.4
[M-H]-	222.89670	136.2
[M+NH4]+	241.93780	154.2
[M+K]+	262.86714	133.3
[M+H-H2O]+	206.90124	132.8
[M+HCOO]-	268.90218	147.8
[M+CH3COO]-	282.91783	182.2
[M+Na-2H]-	244.87865	138.8
[M]+	223.90343	150.2
[M]-	223.90453	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.