CID 16217506

3-bromo-2-isopropoxyphenylboronic acid

Structural Information

Molecular Formula

C₉H₁₂BBrO₃

SMILES

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

InChI

InChI=1S/C9H12BBrO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6,12-13H,1-2H3

InChIKey

FKHTXEIXJGJOCH-UHFFFAOYSA-N

Compound name

(3-bromo-2-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 258.0063 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]+	259.01358	146.3
[M+Na]+	280.99552	148.3
[M+NH4]+	276.04012	150.1
[M+K]+	296.96946	150.1
[M-H]-	256.99902	145.4
[M+Na-2H]-	278.98097	148.1
[M]+	258.00575	145.0
[M]-	258.00685	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe