CID 66521638

1-(3-fluorophenyl)-1h-pyrazole-4-boronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.