CID 44558121

957065-86-0

Structural Information

Molecular Formula

C₆H₅BF₂O₃

SMILES

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

InChI

InChI=1S/C6H5BF2O3/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2,10-12H

InChIKey

YTKYZCCDBZCCOK-UHFFFAOYSA-N

Compound name

(2,6-difluoro-3-hydroxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 174.02998 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]+	175.03726	133.3
[M+Na]+	197.01920	143.1
[M+NH4]+	192.06380	139.0
[M+K]+	212.99314	139.6
[M-H]-	173.02270	130.4
[M+Na-2H]-	195.00465	136.6
[M]+	174.02943	133.4
[M]-	174.03053	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe