CID 25067270

871329-64-5

Structural Information

Molecular Formula

C₉H₇BN₂O₂

SMILES

B(C1=CC2=C(N1)C=CC(=C2)C#N)(O)O

InChI

InChI=1S/C9H7BN2O2/c11-5-6-1-2-8-7(3-6)4-9(12-8)10(13)14/h1-4,12-14H

InChIKey

UALSJXICMYXRMN-UHFFFAOYSA-N

Compound name

(5-cyano-1H-indol-2-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.06006 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]+	187.06734	139.4
[M+Na]+	209.04928	150.7
[M+NH4]+	204.09388	143.4
[M+K]+	225.02322	144.3
[M-H]-	185.05278	132.1
[M+Na-2H]-	207.03473	141.6
[M]+	186.05951	137.9
[M]-	186.06061	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe