CID 46739627

3-fluoro-5-morpholinophenylboronic acid

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: 13
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]+	226.104516	147.2
[M+Na]+	248.086458	152.8
[M-H]-	224.089964	148.7
[M+NH4]+	243.131063	161.0
[M+K]+	264.060398	151.0
[M+H-H2O]+	208.094500	138.9
[M+HCOO]-	270.095441	161.7
[M+CH3COO]-	284.111091	183.1
[M+Na-2H]-	246.071906	150.7
[M]+	225.09669142	141.7
[M]-	225.09778858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe