CID 43145398

1201643-70-0

Structural Information

Molecular Formula
C9H9BN2O2
SMILES
B(C1=CN(N=C1)C2=CC=CC=C2)(O)O
InChI
InChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H
InChIKey
YHFFOAKRWYIKBG-UHFFFAOYSA-N
Compound name
(1-phenylpyrazol-4-yl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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

literature stripe

Patent stripe

patents stripe