CID 61533122

1333403-67-0

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 144.1
[M+Na]+ 243.07116 152.7
[M-H]- 219.07466 144.8
[M+NH4]+ 238.11576 160.3
[M+K]+ 259.04510 148.8
[M+H-H2O]+ 203.07920 135.7
[M+HCOO]- 265.08014 163.2
[M+CH3COO]- 279.09579 182.4
[M+Na-2H]- 241.05661 147.3
[M]+ 220.08139 142.2
[M]- 220.08249 142.2
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.