CID 16217680

(5-chloro-2-propoxyphenyl)boronic acid

Structural Information

Molecular Formula

C₉H₁₂BClO₃

SMILES

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

InChI

InChI=1S/C9H12BClO3/c1-2-5-14-9-4-3-7(11)6-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3

InChIKey

FZDSWPMDXOYUBB-UHFFFAOYSA-N

Compound name

(5-chloro-2-propoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 214.05681 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]+	215.06409	142.2
[M+Na]+	237.04603	154.8
[M+NH4]+	232.09063	150.0
[M+K]+	253.01997	149.1
[M-H]-	213.04953	142.9
[M+Na-2H]-	235.03148	147.6
[M]+	214.05626	144.4
[M]-	214.05736	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe