CID 61533122

[3-fluoro-4-(1h-pyrazol-1-ylmethyl)phenyl]boronic acid

Structural Information

Molecular Formula
C10H10BFN2O2
SMILES
B(C1=CC(=C(C=C1)CN2C=CC=N2)F)(O)O
InChI
InChI=1S/C10H10BFN2O2/c12-10-6-9(11(15)16)3-2-8(10)7-14-5-1-4-13-14/h1-6,15-16H,7H2
InChIKey
FDVOYBMPDRQBGK-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(pyrazol-1-ylmethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08194 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08922 147.1
[M+Na]+ 243.07116 158.4
[M+NH4]+ 238.11576 153.4
[M+K]+ 259.04510 155.3
[M-H]- 219.07466 146.9
[M+Na-2H]- 241.05661 153.0
[M]+ 220.08139 148.3
[M]- 220.08249 148.3
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.