CID 23005403

1106676-82-7

Structural Information

Molecular Formula

C₆H₄BBrF₂O₂

SMILES

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

InChI

InChI=1S/C6H4BBrF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2,11-12H

InChIKey

RWBIJRFCSHAOGQ-UHFFFAOYSA-N

Compound name

(4-bromo-2,5-difluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.94559 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]+	236.95287	144.3
[M+Na]+	258.93481	146.2
[M+NH4]+	253.97941	147.5
[M+K]+	274.90875	147.1
[M-H]-	234.93831	141.4
[M+Na-2H]-	256.92026	145.4
[M]+	235.94504	142.4
[M]-	235.94614	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.