CID 20777176

946525-43-5

Structural Information

Molecular Formula

C₇H₇BF₂O₂

SMILES

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

InChI

InChI=1S/C7H7BF2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7,11-12H

InChIKey

BKHBDGFRIWAUKK-UHFFFAOYSA-N

Compound name

[4-(difluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 172.05072 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]+	173.05800	134.5
[M+Na]+	195.03994	144.1
[M+NH4]+	190.08454	140.9
[M+K]+	211.01388	139.9
[M-H]-	171.04344	132.3
[M+Na-2H]-	193.02539	138.7
[M]+	172.05017	134.8
[M]-	172.05127	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe