CID 18476091

(2-methoxy-5-(pyridin-4-yl)phenyl)boronic acid

Structural Information

Molecular Formula
C12H12BNO3
SMILES
B(C1=C(C=CC(=C1)C2=CC=NC=C2)OC)(O)O
InChI
InChI=1S/C12H12BNO3/c1-17-12-3-2-10(8-11(12)13(15)16)9-4-6-14-7-5-9/h2-8,15-16H,1H3
InChIKey
QLNYKODXAPVKKX-UHFFFAOYSA-N
Compound name
(2-methoxy-5-pyridin-4-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

229.09102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09830 148.3
[M+Na]+ 252.08024 155.9
[M-H]- 228.08374 151.4
[M+NH4]+ 247.12484 163.5
[M+K]+ 268.05418 152.6
[M+H-H2O]+ 212.08828 140.7
[M+HCOO]- 274.08922 168.4
[M+CH3COO]- 288.10487 185.3
[M+Na-2H]- 250.06569 153.6
[M]+ 229.09047 148.2
[M]- 229.09157 148.2
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

patents stripe