CID 72213202

2242644-66-0

Structural Information

Molecular Formula

C₅H₄BF₃O₂S

SMILES

B(C1=CSC(=C1)C(F)(F)F)(O)O

InChI

InChI=1S/C5H4BF3O2S/c7-5(8,9)4-1-3(2-12-4)6(10)11/h1-2,10-11H

InChIKey

AUYSWMNWCOLUIV-UHFFFAOYSA-N

Compound name

[5-(trifluoromethyl)thiophen-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.99771 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]+	197.00499	141.9
[M+Na]+	218.98693	148.1
[M+NH4]+	214.03153	147.3
[M+K]+	234.96087	144.9
[M-H]-	194.99043	137.1
[M+Na-2H]-	216.97238	143.0
[M]+	195.99716	141.4
[M]-	195.99826	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe