CID 22735874

313545-47-0

Structural Information

Molecular Formula

C₉H₁₂BClO₃

SMILES

B(C1=C(C=C(C=C1)OC(C)C)Cl)(O)O

InChI

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

InChIKey

OKGHQUDYWHNUKC-UHFFFAOYSA-N

Compound name

(2-chloro-4-propan-2-yloxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	142.3
[M+Na]+	237.04603	154.5
[M+NH4]+	232.09063	150.0
[M+K]+	253.01997	149.7
[M-H]-	213.04953	142.8
[M+Na-2H]-	235.03148	147.3
[M]+	214.05626	144.4
[M]-	214.05736	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe