CID 10890044

397843-71-9

Structural Information

Molecular Formula

C₁₃H₁₂BNO₃

SMILES

B(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2)(O)O

InChI

InChI=1S/C13H12BNO3/c16-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(17)18/h1-9,17-18H,(H,15,16)

InChIKey

ZFEJFNWZHUMGRH-UHFFFAOYSA-N

Compound name

[3-(phenylcarbamoyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 241.09102 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]+	242.09830	153.6
[M+Na]+	264.08024	165.5
[M+NH4]+	259.12484	160.8
[M+K]+	280.05418	160.1
[M-H]-	240.08374	156.8
[M+Na-2H]-	262.06569	161.4
[M]+	241.09047	155.9
[M]-	241.09157	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe