CID 16217898

3,6-dibromo-2-fluorophenylboronic acid

Structural Information

Molecular Formula

C₆H₄BBr₂FO₂

SMILES

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

InChI

InChI=1S/C6H4BBr2FO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H

InChIKey

KALJKPUYTUFGLI-UHFFFAOYSA-N

Compound name

(3,6-dibromo-2-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.8655 Da
Monoisotopic Mass: None
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]+	296.87278	139.8
[M+Na]+	318.85472	151.0
[M-H]-	294.85822	143.9
[M+NH4]+	313.89932	158.1
[M+K]+	334.82866	135.0
[M+H-H2O]+	278.86276	147.3
[M+HCOO]-	340.86370	153.1
[M+CH3COO]-	354.87935	199.4
[M+Na-2H]-	316.84017	144.9
[M]+	295.86495	171.5
[M]-	295.86605	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe