CID 44717588

871332-66-0

Structural Information

Molecular Formula

C₇H₇BFNO₃

SMILES

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

InChI

InChI=1S/C7H7BFNO3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H2,10,11)

InChIKey

FTMWTTRIUYYHDE-UHFFFAOYSA-N

Compound name

(3-carbamoyl-5-fluorophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 183.05031 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]+	184.05759	135.4
[M+Na]+	206.03953	144.5
[M+NH4]+	201.08413	141.3
[M+K]+	222.01347	141.6
[M-H]-	182.04303	134.1
[M+Na-2H]-	204.02498	138.9
[M]+	183.04976	135.8
[M]-	183.05086	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe