CID 45073596

Quinoxalin-6-ylboronic acid

Structural Information

Molecular Formula

C₈H₇BN₂O₂

SMILES

B(C1=CC2=NC=CN=C2C=C1)(O)O

InChI

InChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H

InChIKey

AWONZXSTLZEBCM-UHFFFAOYSA-N

Compound name

quinoxalin-6-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 174.06006 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]+	175.06734	132.8
[M+Na]+	197.04928	141.6
[M-H]-	173.05278	132.3
[M+NH4]+	192.09388	150.1
[M+K]+	213.02322	138.3
[M+H-H2O]+	157.05732	126.0
[M+HCOO]-	219.05826	151.2
[M+CH3COO]-	233.07391	145.3
[M+Na-2H]-	195.03473	141.9
[M]+	174.05951	131.5
[M]-	174.06061	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe