CID 3682148

4-hexyloxyphenylboronic acid

Structural Information

Molecular Formula

C₁₂H₁₉BO₃

SMILES

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

InChI

InChI=1S/C12H19BO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3

InChIKey

XYNVLFGOOWUKQS-UHFFFAOYSA-N

Compound name

(4-hexoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 222.14273 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]+	223.15001	151.2
[M+Na]+	245.13195	162.0
[M+NH4]+	240.17655	158.3
[M+K]+	261.10589	156.2
[M-H]-	221.13545	151.7
[M+Na-2H]-	243.11740	155.8
[M]+	222.14218	152.7
[M]-	222.14328	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe