CID 2783280

2,3,4-trifluorobenzeneboronic acid

Structural Information

Molecular Formula

C₆H₄BF₃O₂

SMILES

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

InChI

InChI=1S/C6H4BF3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

InChIKey

CLGIPVVEERQWSQ-UHFFFAOYSA-N

Compound name

(2,3,4-trifluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 717
Patents: 176.02565 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]+	177.03293	126.8
[M+Na]+	199.01487	136.9
[M-H]-	175.01837	124.9
[M+NH4]+	194.05947	146.2
[M+K]+	214.98881	134.0
[M+H-H2O]+	159.02291	119.7
[M+HCOO]-	221.02385	145.3
[M+CH3COO]-	235.03950	176.1
[M+Na-2H]-	197.00032	130.2
[M]+	176.02510	122.0
[M]-	176.02620	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe