CID 16217170

352535-97-8

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: 144
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]+	218.962276	135.1
[M+Na]+	240.944218	146.9
[M-H]-	216.947724	138.1
[M+NH4]+	235.988823	156.0
[M+K]+	256.918158	135.7
[M+H-H2O]+	200.952260	135.1
[M+HCOO]-	262.953201	153.3
[M+CH3COO]-	276.968851	180.1
[M+Na-2H]-	238.929666	141.1
[M]+	217.95445142	150.9
[M]-	217.95554858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe