CID 4589189

4-cyclohexylbenzeneboronic acid

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: 409
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	145.4
[M+Na]+	227.12138	149.2
[M-H]-	203.12488	148.5
[M+NH4]+	222.16598	162.6
[M+K]+	243.09532	146.0
[M+H-H2O]+	187.12942	139.0
[M+HCOO]-	249.13036	162.4
[M+CH3COO]-	263.14601	180.4
[M+Na-2H]-	225.10683	148.4
[M]+	204.13161	138.7
[M]-	204.13271	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe