CID 46737996

775351-30-9

Structural Information

Molecular Formula

C₇H₇BN₄O₂

SMILES

B(C1=CC(=CC=C1)C2=NNN=N2)(O)O

InChI

InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)

InChIKey

XMJKBDSKRITXBW-UHFFFAOYSA-N

Compound name

[3-(2H-tetrazol-5-yl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 124
Patents: 190.06621 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]+	191.07349	138.7
[M+Na]+	213.05543	150.3
[M+NH4]+	208.10003	144.3
[M+K]+	229.02937	148.5
[M-H]-	189.05893	137.9
[M+Na-2H]-	211.04088	144.9
[M]+	190.06566	139.7
[M]-	190.06676	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe