CID 3700836

5-chloro-2-ethoxyphenylboronic acid

Structural Information

Molecular Formula

C₈H₁₀BClO₃

SMILES

B(C1=C(C=CC(=C1)Cl)OCC)(O)O

InChI

InChI=1S/C8H10BClO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3

InChIKey

OSMBQNBPCSSVMT-UHFFFAOYSA-N

Compound name

(5-chloro-2-ethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 200.04115 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]+	201.04843	137.6
[M+Na]+	223.03037	150.4
[M+NH4]+	218.07497	145.6
[M+K]+	239.00431	145.0
[M-H]-	199.03387	138.4
[M+Na-2H]-	221.01582	143.3
[M]+	200.04060	139.8
[M]-	200.04170	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe