CID 43327880

1072951-78-0

Structural Information

Molecular Formula

C₁₃H₁₂BFO₃

SMILES

B(C1=CC=C(C=C1)OCC2=CC=CC=C2F)(O)O

InChI

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

InChIKey

MSMQSLDBKPNEPX-UHFFFAOYSA-N

Compound name

[4-[(2-fluorophenyl)methoxy]phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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]+	247.09363	154.1
[M+Na]+	269.07557	166.9
[M+NH4]+	264.12017	161.4
[M+K]+	285.04951	160.6
[M-H]-	245.07907	156.0
[M+Na-2H]-	267.06102	161.6
[M]+	246.08580	156.3
[M]-	246.08690	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe