CID 53402942

1308354-99-5

Structural Information

Molecular Formula

C₅H₄BF₃O₃

SMILES

B(C1=CC=C(O1)C(F)(F)F)(O)O

InChI

InChI=1S/C5H4BF3O3/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H

InChIKey

MSIFJTBEYRENGU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 180.02055 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]+	181.02783	139.2
[M+Na]+	203.00977	145.9
[M+NH4]+	198.05437	143.7
[M+K]+	218.98371	145.2
[M-H]-	179.01327	134.9
[M+Na-2H]-	200.99522	140.2
[M]+	180.02000	138.4
[M]-	180.02110	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe