CID 145755077

1161937-32-1

Structural Information

Molecular Formula

C₁₂H₉BClFO₂

SMILES

B(C1=CC(=C(C=C1)C2=CC=C(C=C2)Cl)F)(O)O

InChI

InChI=1S/C12H9BClFO2/c14-10-4-1-8(2-5-10)11-6-3-9(13(16)17)7-12(11)15/h1-7,16-17H

InChIKey

ACNKRHHIPWFROP-UHFFFAOYSA-N

Compound name

[4-(4-chlorophenyl)-3-fluorophenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.03682 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]+	251.04410	148.0
[M+Na]+	273.02604	157.7
[M-H]-	249.02954	151.4
[M+NH4]+	268.07064	165.1
[M+K]+	288.99998	151.7
[M+H-H2O]+	233.03408	141.8
[M+HCOO]-	295.03502	163.8
[M+CH3COO]-	309.05067	188.2
[M+Na-2H]-	271.01149	151.7
[M]+	250.03627	147.7
[M]-	250.03737	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe