CID 2773980

2,4-dibromo-6-fluorophenol

Structural Information

Molecular Formula

C₆H₃Br₂FO

SMILES

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

InChI

InChI=1S/C6H3Br2FO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

XJDJZAUITWTZAS-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-fluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 267.8535 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]+	268.86078	132.6
[M+Na]+	290.84272	145.0
[M-H]-	266.84622	138.0
[M+NH4]+	285.88732	152.6
[M+K]+	306.81666	129.3
[M+H-H2O]+	250.85076	140.6
[M+HCOO]-	312.85170	148.1
[M+CH3COO]-	326.86735	197.3
[M+Na-2H]-	288.82817	139.8
[M]+	267.85295	165.1
[M]-	267.85405	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe