CID 44717243

879275-70-4

Structural Information

Molecular Formula

C₇H₇BF₂O₂

SMILES

B(C1=CC=CC=C1C(F)F)(O)O

InChI

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

InChIKey

RTUHFDBTYFIWMU-UHFFFAOYSA-N

Compound name

[2-(difluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
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	130.2
[M+Na]+	195.03994	137.7
[M-H]-	171.04344	128.8
[M+NH4]+	190.08454	149.1
[M+K]+	211.01388	135.4
[M+H-H2O]+	155.04798	123.5
[M+HCOO]-	217.04892	148.5
[M+CH3COO]-	231.06457	174.8
[M+Na-2H]-	193.02539	133.8
[M]+	172.05017	125.6
[M]-	172.05127	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe