CID 56737676

2-hydroxy-6-trifluoromethylphenylboronic acid

Structural Information

Molecular Formula

C₇H₆BF₃O₃

SMILES

B(C1=C(C=CC=C1O)C(F)(F)F)(O)O

InChI

InChI=1S/C7H6BF3O3/c9-7(10,11)4-2-1-3-5(12)6(4)8(13)14/h1-3,12-14H

InChIKey

FNBWZLJDEFUGAL-UHFFFAOYSA-N

Compound name

[2-hydroxy-6-(trifluoromethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 206.03621 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]+	207.043486	135.7
[M+Na]+	229.025428	144.4
[M-H]-	205.028934	132.1
[M+NH4]+	224.070033	152.9
[M+K]+	244.999368	141.4
[M+H-H2O]+	189.033470	128.8
[M+HCOO]-	251.034411	151.0
[M+CH3COO]-	265.050061	177.3
[M+Na-2H]-	227.010876	139.5
[M]+	206.03566142	129.9
[M]-	206.03675858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe