CID 45789918

1008140-70-2

Structural Information

Molecular Formula

C₆H₅BF₃NO₃

SMILES

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

InChI

InChI=1S/C6H5BF3NO3/c8-6(9,10)14-5-2-1-4(3-11-5)7(12)13/h1-3,12-13H

InChIKey

UTNFOSHVMVOKPG-UHFFFAOYSA-N

Compound name

[6-(trifluoromethoxy)pyridin-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 207.03146 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]+	208.03874	142.1
[M+Na]+	230.02068	149.8
[M+NH4]+	225.06528	146.1
[M+K]+	245.99462	147.2
[M-H]-	206.02418	136.7
[M+Na-2H]-	228.00613	144.9
[M]+	207.03091	141.2
[M]-	207.03201	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe