CID 45791109

1287753-34-7

Structural Information

Molecular Formula

C₁₀H₁₁BN₂O₃

SMILES

B(C1=C(C=C(C=C1)OC)N2C=CC=N2)(O)O

InChI

InChI=1S/C10H11BN2O3/c1-16-8-3-4-9(11(14)15)10(7-8)13-6-2-5-12-13/h2-7,14-15H,1H3

InChIKey

HNIWENQDOKNTLY-UHFFFAOYSA-N

Compound name

(4-methoxy-2-pyrazol-1-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 218.08627 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]+	219.09355	146.5
[M+Na]+	241.07549	158.4
[M+NH4]+	236.12009	153.1
[M+K]+	257.04943	155.8
[M-H]-	217.07899	147.4
[M+Na-2H]-	239.06094	152.8
[M]+	218.08572	148.2
[M]-	218.08682	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe