CID 3806952

5-chloro-2-formylphenylboronic acid

Structural Information

Molecular Formula

C₇H₆BClO₃

SMILES

B(C1=C(C=CC(=C1)Cl)C=O)(O)O

InChI

InChI=1S/C7H6BClO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4,11-12H

InChIKey

LVNPJTSTUBPCMK-UHFFFAOYSA-N

Compound name

(5-chloro-2-formylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 184.00986 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]+	185.01714	132.3
[M+Na]+	206.99908	145.4
[M+NH4]+	202.04368	140.2
[M+K]+	222.97302	140.1
[M-H]-	183.00258	132.9
[M+Na-2H]-	204.98453	138.2
[M]+	184.00931	134.5
[M]-	184.01041	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe