CID 90206315

1446716-65-9

Structural Information

Molecular Formula

C₈H₁₀BFO₂

SMILES

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

InChI

InChI=1S/C8H10BFO2/c1-2-6-5-7(10)3-4-8(6)9(11)12/h3-5,11-12H,2H2,1H3

InChIKey

VEFCZWRFHVRVLY-UHFFFAOYSA-N

Compound name

(2-ethyl-4-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 168.07579 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]+	169.08307	133.9
[M+Na]+	191.06501	145.3
[M+NH4]+	186.10961	141.3
[M+K]+	207.03895	140.1
[M-H]-	167.06851	133.6
[M+Na-2H]-	189.05046	139.0
[M]+	168.07524	135.2
[M]-	168.07634	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe