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

125
Patents

206.06628 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07356 139.5
[M+Na]+ 229.05550 148.5
[M-H]- 205.05900 140.4
[M+NH4]+ 224.10010 156.2
[M+K]+ 245.02944 144.9
[M+H-H2O]+ 189.06354 131.3
[M+HCOO]- 251.06448 158.9
[M+CH3COO]- 265.08013 179.4
[M+Na-2H]- 227.04095 143.3
[M]+ 206.06573 137.2
[M]- 206.06683 137.2
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