CID 4532730

5-bromo-2-methoxyphenylboronic acid

Structural Information

Molecular Formula

C₇H₈BBrO₃

SMILES

B(C1=C(C=CC(=C1)Br)OC)(O)O

InChI

InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3

InChIKey

FVRLSHRAYPFXRQ-UHFFFAOYSA-N

Compound name

(5-bromo-2-methoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 187
Patents: 229.97499 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]+	230.98227	138.6
[M+Na]+	252.96421	141.3
[M+NH4]+	248.00881	142.8
[M+K]+	268.93815	142.8
[M-H]-	228.96771	138.0
[M+Na-2H]-	250.94966	141.1
[M]+	229.97444	137.5
[M]-	229.97554	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe