CID 141295467

2243975-76-8

Structural Information

Molecular Formula

C₁₃H₁₃BO₂

SMILES

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

InChI

InChI=1S/C13H13BO2/c1-10-7-8-12(13(9-10)14(15)16)11-5-3-2-4-6-11/h2-9,15-16H,1H3

InChIKey

SLUUTJCSUPBPGF-UHFFFAOYSA-N

Compound name

(5-methyl-2-phenylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 212.10086 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]+	213.10814	146.5
[M+Na]+	235.09008	161.0
[M+NH4]+	230.13468	155.3
[M+K]+	251.06402	154.1
[M-H]-	211.09358	150.6
[M+Na-2H]-	233.07553	155.5
[M]+	212.10031	149.8
[M]-	212.10141	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe