CID 2734335

2,5-difluorophenylboronic acid

Structural Information

Molecular Formula

C₆H₅BF₂O₂

SMILES

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

InChI

InChI=1S/C6H5BF2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H

InChIKey

KTOJGSDLJNUAEP-UHFFFAOYSA-N

Compound name

(2,5-difluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1895
Patents: 158.03506 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]+	159.04234	129.9
[M+Na]+	181.02428	140.4
[M+NH4]+	176.06888	136.6
[M+K]+	196.99822	135.9
[M-H]-	157.02778	128.0
[M+Na-2H]-	179.00973	134.5
[M]+	158.03451	130.5
[M]-	158.03561	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe