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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.089216	144.1
[M+Na]+	243.071158	152.7
[M-H]-	219.074664	144.8
[M+NH4]+	238.115763	160.3
[M+K]+	259.045098	148.8
[M+H-H2O]+	203.079200	135.7
[M+HCOO]-	265.080141	163.2
[M+CH3COO]-	279.095791	182.4
[M+Na-2H]-	241.056606	147.3
[M]+	220.08139142	142.2
[M]-	220.08248858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.