CID 44717580

874219-19-9

Structural Information

Molecular Formula

C₈H₉BFNO₃

SMILES

B(C1=CC(=C(C=C1)F)C(=O)NC)(O)O

InChI

InChI=1S/C8H9BFNO3/c1-11-8(12)6-4-5(9(13)14)2-3-7(6)10/h2-4,13-14H,1H3,(H,11,12)

InChIKey

DVDSMLPVTUSIFM-UHFFFAOYSA-N

Compound name

[4-fluoro-3-(methylcarbamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 197.06595 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]+	198.07323	139.9
[M+Na]+	220.05517	149.2
[M+NH4]+	215.09977	145.8
[M+K]+	236.02911	145.8
[M-H]-	196.05867	138.8
[M+Na-2H]-	218.04062	143.7
[M]+	197.06540	140.4
[M]-	197.06650	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe