CID 18754960

153624-68-1

Structural Information

Molecular Formula

C₁₀H₁₄BFO₂

SMILES

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

InChI

InChI=1S/C10H14BFO2/c1-7(2)5-8-3-4-9(11(13)14)10(12)6-8/h3-4,6-7,13-14H,5H2,1-2H3

InChIKey

NTHBRMLLSUXEEG-UHFFFAOYSA-N

Compound name

[2-fluoro-4-(2-methylpropyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 196.10709 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]+	197.11437	141.0
[M+Na]+	219.09631	148.1
[M-H]-	195.09981	140.8
[M+NH4]+	214.14091	159.4
[M+K]+	235.07025	145.6
[M+H-H2O]+	179.10435	135.0
[M+HCOO]-	241.10529	159.3
[M+CH3COO]-	255.12094	182.3
[M+Na-2H]-	217.08176	142.8
[M]+	196.10654	139.0
[M]-	196.10764	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe