CID 2763287

Indole-7-boronic acid

Structural Information

Molecular Formula

SMILES

B(C1=C2C(=CC=C1)C=CN2)(O)O

InChI

InChI=1S/C8H8BNO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10-12H

InChIKey

HABOMNOJYJNVHE-UHFFFAOYSA-N

Compound name

1H-indol-7-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 161.0648 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]+	162.07208	130.2
[M+Na]+	184.05402	142.3
[M+NH4]+	179.09862	138.4
[M+K]+	200.02796	139.1
[M-H]-	160.05752	130.4
[M+Na-2H]-	182.03947	135.7
[M]+	161.06425	131.8
[M]-	161.06535	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe