CID 46738684

1-(4-fluorophenyl)pyrazole-4-boronic acid

Structural Information

Molecular Formula
C9H8BFN2O2
SMILES
B(C1=CN(N=C1)C2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C9H8BFN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6,14-15H
InChIKey
RKNFXJIPDALCBH-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)pyrazol-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

206.06628 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07356 142.6
[M+Na]+ 229.05550 154.1
[M+NH4]+ 224.10010 149.1
[M+K]+ 245.02944 151.2
[M-H]- 205.05900 142.4
[M+Na-2H]- 227.04095 148.7
[M]+ 206.06573 143.9
[M]- 206.06683 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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