CID 44558175

850589-53-6

Structural Information

Molecular Formula

C₈H₁₀BFO₃

SMILES

B(C1=CC(=CC(=C1)F)OCC)(O)O

InChI

InChI=1S/C8H10BFO3/c1-2-13-8-4-6(9(11)12)3-7(10)5-8/h3-5,11-12H,2H2,1H3

InChIKey

OVVBLFYHZAMJIK-UHFFFAOYSA-N

Compound name

(3-ethoxy-5-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 184.07071 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]+	185.07799	137.0
[M+Na]+	207.05993	147.9
[M+NH4]+	202.10453	143.8
[M+K]+	223.03387	143.3
[M-H]-	183.06343	136.1
[M+Na-2H]-	205.04538	141.6
[M]+	184.07016	138.0
[M]-	184.07126	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe