CID 53216556

900175-03-3

Structural Information

Molecular Formula

C₈H₁₀BFO₂

SMILES

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

InChI

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

InChIKey

RNRZJTDDHBOEBA-UHFFFAOYSA-N

Compound name

(5-ethyl-2-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
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	131.5
[M+Na]+	191.06501	139.8
[M-H]-	167.06851	131.7
[M+NH4]+	186.10961	151.1
[M+K]+	207.03895	137.3
[M+H-H2O]+	151.07305	125.8
[M+HCOO]-	213.07399	151.6
[M+CH3COO]-	227.08964	175.3
[M+Na-2H]-	189.05046	135.7
[M]+	168.07524	129.5
[M]-	168.07634	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe