CID 16217487

10-bromoanthracene-9-boronic acid

Structural Information

Molecular Formula

C₁₄H₁₀BBrO₂

SMILES

B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)Br)(O)O

InChI

InChI=1S/C14H10BBrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8,17-18H

InChIKey

FAVOIVPFJSKYBE-UHFFFAOYSA-N

Compound name

(10-bromoanthracen-9-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 299.99573 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]+	301.00301	158.3
[M+Na]+	322.98495	170.6
[M-H]-	298.98845	164.3
[M+NH4]+	318.02955	178.1
[M+K]+	338.95889	158.1
[M+H-H2O]+	282.99299	158.5
[M+HCOO]-	344.99393	175.8
[M+CH3COO]-	359.00958	172.2
[M+Na-2H]-	320.97040	166.9
[M]+	299.99518	177.3
[M]-	299.99628	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe