CID 12109469

182344-16-7

Structural Information

Molecular Formula

C₇H₅BF₄O₂

SMILES

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

InChI

InChI=1S/C7H5BF4O2/c9-4-1-2-6(8(13)14)5(3-4)7(10,11)12/h1-3,13-14H

InChIKey

SWUPLEAGZOKLNX-UHFFFAOYSA-N

Compound name

[4-fluoro-2-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 208.03188 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]+	209.03916	147.9
[M+Na]+	231.02110	155.1
[M+NH4]+	226.06570	151.9
[M+K]+	246.99504	151.5
[M-H]-	207.02460	142.5
[M+Na-2H]-	229.00655	149.9
[M]+	208.03133	146.9
[M]-	208.03243	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe