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: 156
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	133.7
[M+Na]+	197.04928	147.3
[M+NH4]+	192.09388	141.7
[M+K]+	213.02322	141.8
[M-H]-	173.05278	134.4
[M+Na-2H]-	195.03473	140.5
[M]+	174.05951	135.7
[M]-	174.06061	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe