CID 2783239

681812-07-7

Structural Information

Molecular Formula

C₈H₅BF₆O₂

SMILES

B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O

InChI

InChI=1S/C8H5BF6O2/c10-7(11,12)4-2-1-3-5(8(13,14)15)6(4)9(16)17/h1-3,16-17H

InChIKey

WAMPGNNEOZGBHR-UHFFFAOYSA-N

Compound name

[2,6-bis(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 258.0287 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]+	259.03598	166.6
[M+Na]+	281.01792	170.9
[M+NH4]+	276.06252	168.2
[M+K]+	296.99186	167.9
[M-H]-	257.02142	159.0
[M+Na-2H]-	279.00337	166.2
[M]+	258.02815	164.6
[M]-	258.02925	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe