CID 133634869

2225174-97-8

Structural Information

Molecular Formula

C₉H₁₂BFO₂

SMILES

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

InChI

InChI=1S/C9H12BFO2/c1-6(2)7-3-4-8(10(12)13)9(11)5-7/h3-6,12-13H,1-2H3

InChIKey

HZJKIIXSJUHKOY-UHFFFAOYSA-N

Compound name

(2-fluoro-4-propan-2-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.09143 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]+	183.09871	138.6
[M+Na]+	205.08065	149.5
[M+NH4]+	200.12525	145.8
[M+K]+	221.05459	144.9
[M-H]-	181.08415	138.1
[M+Na-2H]-	203.06610	143.1
[M]+	182.09088	139.8
[M]-	182.09198	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe