CID 2782666

779331-47-4

Structural Information

Molecular Formula

C₁₃H₁₂BFO₃

SMILES

B(C1=C(C=CC(=C1)F)OCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H12BFO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2

InChIKey

ULIJNMCAPASXHA-UHFFFAOYSA-N

Compound name

(5-fluoro-2-phenylmethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 75
Patents: 246.08635 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]+	247.093626	151.2
[M+Na]+	269.075568	158.4
[M-H]-	245.079074	154.1
[M+NH4]+	264.120173	167.0
[M+K]+	285.049508	154.6
[M+H-H2O]+	229.083610	143.4
[M+HCOO]-	291.084551	171.2
[M+CH3COO]-	305.100201	188.3
[M+Na-2H]-	267.061016	155.3
[M]+	246.08580142	149.9
[M]-	246.08689858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe