CID 55263556

1308298-23-8

Structural Information

Molecular Formula

C₅H₄BF₃N₂O₂

SMILES

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

InChI

InChI=1S/C5H4BF3N2O2/c7-5(8,9)4-10-1-3(2-11-4)6(12)13/h1-2,12-13H

InChIKey

OEZMIKKBMMAABO-UHFFFAOYSA-N

Compound name

[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 192.0318 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]+	193.03908	138.1
[M+Na]+	215.02102	146.1
[M+NH4]+	210.06562	142.0
[M+K]+	230.99496	143.6
[M-H]-	191.02452	132.4
[M+Na-2H]-	213.00647	141.1
[M]+	192.03125	137.1
[M]-	192.03235	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe