CID 46839983

(1h-indazol-7-yl)boronic acid

Structural Information

Molecular Formula

C₇H₇BN₂O₂

SMILES

B(C1=C2C(=CC=C1)C=NN2)(O)O

InChI

InChI=1S/C7H7BN2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h1-4,11-12H,(H,9,10)

InChIKey

QAHHYPPRKWNXHT-UHFFFAOYSA-N

Compound name

1H-indazol-7-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 162.06006 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]+	163.06734	129.2
[M+Na]+	185.04928	138.9
[M-H]-	161.05278	128.0
[M+NH4]+	180.09388	148.3
[M+K]+	201.02322	135.1
[M+H-H2O]+	145.05732	123.2
[M+HCOO]-	207.05826	148.7
[M+CH3COO]-	221.07391	142.2
[M+Na-2H]-	183.03473	136.5
[M]+	162.05951	127.9
[M]-	162.06061	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe