CID 2734610

2-cyanophenylboronic acid

Structural Information

Molecular Formula

SMILES

B(C1=CC=CC=C1C#N)(O)O

InChI

InChI=1S/C7H6BNO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,10-11H

InChIKey

NPLZNDDFVCGRAG-UHFFFAOYSA-N

Compound name

(2-cyanophenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2530
Patents: 147.04916 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]+	148.056436	130.6
[M+Na]+	170.038378	140.4
[M-H]-	146.041884	131.9
[M+NH4]+	165.082983	148.6
[M+K]+	186.012318	137.5
[M+H-H2O]+	130.046420	119.2
[M+HCOO]-	192.047361	148.7
[M+CH3COO]-	206.063011	183.1
[M+Na-2H]-	168.023826	136.0
[M]+	147.04861142	124.0
[M]-	147.04970858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe