CID 2783133

2,4,5-trifluorophenylboronic acid

Structural Information

Molecular Formula

C₆H₄BF₃O₂

SMILES

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

InChI

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

InChIKey

KCHHKNCSISEAAE-UHFFFAOYSA-N

Compound name

(2,4,5-trifluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 272
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	136.4
[M+Na]+	199.01487	145.8
[M+NH4]+	194.05947	141.9
[M+K]+	214.98881	141.5
[M-H]-	175.01837	133.0
[M+Na-2H]-	197.00032	139.6
[M]+	176.02510	136.4
[M]-	176.02620	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe