CID 15510213

9-anthraceneboronic acid

Structural Information

Molecular Formula

C₁₄H₁₁BO₂

SMILES

B(C1=C2C=CC=CC2=CC3=CC=CC=C13)(O)O

InChI

InChI=1S/C14H11BO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,16-17H

InChIKey

VHHDLIWHHXBLBK-UHFFFAOYSA-N

Compound name

anthracen-9-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1392
Patents: 222.0852 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]+	223.09248	144.3
[M+Na]+	245.07442	153.6
[M-H]-	221.07792	147.8
[M+NH4]+	240.11902	163.5
[M+K]+	261.04836	148.6
[M+H-H2O]+	205.08246	138.2
[M+HCOO]-	267.08340	164.4
[M+CH3COO]-	281.09905	157.1
[M+Na-2H]-	243.05987	153.5
[M]+	222.08465	144.6
[M]-	222.08575	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe