CID 53216720

3-chloro-4,5-difluorophenylboronic acid

Structural Information

Molecular Formula

C₆H₄BClF₂O₂

SMILES

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

InChI

InChI=1S/C6H4BClF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H

InChIKey

SKVAJRYSVMMITI-UHFFFAOYSA-N

Compound name

(3-chloro-4,5-difluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 191.9961 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]+	193.00338	132.1
[M+Na]+	214.98532	143.6
[M+NH4]+	210.02992	139.1
[M+K]+	230.95926	138.7
[M-H]-	190.98882	130.3
[M+Na-2H]-	212.97077	136.8
[M]+	191.99555	133.2
[M]-	191.99665	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe