CID 2736292

4-bromo-2,6-difluorophenol

Structural Information

Molecular Formula

C₆H₃BrF₂O

SMILES

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

InChI

InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

GPRPSJPFAAGLCA-UHFFFAOYSA-N

Compound name

4-bromo-2,6-difluorophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 733
Patents: 207.93353 Da
Monoisotopic Mass: 2.5
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]+	208.94081	138.2
[M+Na]+	230.92275	141.4
[M+NH4]+	225.96735	142.4
[M+K]+	246.89669	141.1
[M-H]-	206.92625	136.4
[M+Na-2H]-	228.90820	140.7
[M]+	207.93298	136.9
[M]-	207.93408	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe