CID 46739133

1072951-55-3

Structural Information

Molecular Formula

C₁₀H₇BF₃NO₂

SMILES

B(C1=C2C(=C(C=C1)C(F)(F)F)C=CC=N2)(O)O

InChI

InChI=1S/C10H7BF3NO2/c12-10(13,14)7-3-4-8(11(16)17)9-6(7)2-1-5-15-9/h1-5,16-17H

InChIKey

LSVTVEGEWFIJQL-UHFFFAOYSA-N

Compound name

[5-(trifluoromethyl)quinolin-8-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 241.0522 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]+	242.05948	150.0
[M+Na]+	264.04142	159.5
[M+NH4]+	259.08602	155.1
[M+K]+	280.01536	155.2
[M-H]-	240.04492	146.1
[M+Na-2H]-	262.02687	153.5
[M]+	241.05165	149.9
[M]-	241.05275	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe