CID 16640552

891270-35-2

Structural Information

Molecular Formula
C9H9BN2O2
SMILES
B(C1=CC=C(C=C1)N2C=CC=N2)(O)O
InChI
InChI=1S/C9H9BN2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7,13-14H
InChIKey
XTVMZKCCFLOJBL-UHFFFAOYSA-N
Compound name
(4-pyrazol-1-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

188.07571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.082986 137.3
[M+Na]+ 211.064928 145.3
[M-H]- 187.068434 139.2
[M+NH4]+ 206.109533 154.5
[M+K]+ 227.038868 142.2
[M+H-H2O]+ 171.072970 129.8
[M+HCOO]- 233.073911 157.7
[M+CH3COO]- 247.089561 175.6
[M+Na-2H]- 209.050376 142.3
[M]+ 188.07516142 135.6
[M]- 188.07625858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe