CID 16217170

3-bromo-2-fluorophenylboronic acid

Structural Information

Molecular Formula

C₆H₅BBrFO₂

SMILES

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

InChI

InChI=1S/C6H5BBrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H

InChIKey

QCLOSORNRRMFIA-UHFFFAOYSA-N

Compound name

(3-bromo-2-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 217.955 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]+	218.96228	137.3
[M+Na]+	240.94422	139.7
[M+NH4]+	235.98882	141.3
[M+K]+	256.91816	140.8
[M-H]-	216.94772	135.7
[M+Na-2H]-	238.92967	139.6
[M]+	217.95445	135.8
[M]-	217.95555	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe