CID 46739627

1217500-95-2

Structural Information

Molecular Formula

C₁₀H₁₃BFNO₃

SMILES

B(C1=CC(=CC(=C1)F)N2CCOCC2)(O)O

InChI

InChI=1S/C10H13BFNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2

InChIKey

LZZMZSFQBPERPZ-UHFFFAOYSA-N

Compound name

(3-fluoro-5-morpholin-4-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 225.09724 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]+	226.10452	149.8
[M+Na]+	248.08646	160.5
[M+NH4]+	243.13106	156.4
[M+K]+	264.06040	156.1
[M-H]-	224.08996	151.6
[M+Na-2H]-	246.07191	154.3
[M]+	225.09669	151.5
[M]-	225.09779	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe