CID 21186805

(2,1,3-benzoxadiazol-4-yl)boronic acid

Structural Information

Molecular Formula

C₆H₅BN₂O₃

SMILES

B(C1=CC=CC2=NON=C12)(O)O

InChI

InChI=1S/C6H5BN2O3/c10-7(11)4-2-1-3-5-6(4)9-12-8-5/h1-3,10-11H

InChIKey

YLDPFKCZAMVFDF-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazol-4-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 164.03932 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]+	165.04660	128.2
[M+Na]+	187.02854	141.0
[M+NH4]+	182.07314	135.6
[M+K]+	203.00248	139.1
[M-H]-	163.03204	129.0
[M+Na-2H]-	185.01399	133.5
[M]+	164.03877	130.1
[M]-	164.03987	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe