CID 17750522

338454-30-1

Structural Information

Molecular Formula

C₁₄H₁₅BO₃

SMILES

B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O

InChI

InChI=1S/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3

InChIKey

QPXFEWQLALNXEZ-UHFFFAOYSA-N

Compound name

(3-methyl-4-phenylmethoxyphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	154.3
[M+Na]+	265.10064	168.0
[M+NH4]+	260.14524	162.3
[M+K]+	281.07458	161.4
[M-H]-	241.10414	157.8
[M+Na-2H]-	263.08609	162.5
[M]+	242.11087	157.2
[M]-	242.11197	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe