CID 23021420

163680-70-4

Structural Information

Molecular Formula

C₁₄H₁₅BO₃

SMILES

B(C1=CC=C(C=C1)COCC2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H15BO3/c16-15(17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9,16-17H,10-11H2

InChIKey

DUQAUOQOQPYBEN-UHFFFAOYSA-N

Compound name

[4-(phenylmethoxymethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 242.11142 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]+	243.11870	153.2
[M+Na]+	265.10064	159.0
[M-H]-	241.10414	157.0
[M+NH4]+	260.14524	168.9
[M+K]+	281.07458	155.4
[M+H-H2O]+	225.10868	146.0
[M+HCOO]-	287.10962	174.0
[M+CH3COO]-	301.12527	187.4
[M+Na-2H]-	263.08609	158.1
[M]+	242.11087	152.9
[M]-	242.11197	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe