CID 4589189

374538-04-2

Structural Information

Molecular Formula

C₁₂H₁₇BO₂

SMILES

B(C1=CC=C(C=C1)C2CCCCC2)(O)O

InChI

InChI=1S/C12H17BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,14-15H,1-5H2

InChIKey

KNQVRFYNQWNYPU-UHFFFAOYSA-N

Compound name

(4-cyclohexylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 204.13216 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]+	205.13944	146.5
[M+Na]+	227.12138	158.0
[M+NH4]+	222.16598	155.3
[M+K]+	243.09532	151.8
[M-H]-	203.12488	150.0
[M+Na-2H]-	225.10683	153.2
[M]+	204.13161	149.0
[M]-	204.13271	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe