CID 13269

835-64-3

Structural Information

Molecular Formula

C₁₃H₉NO₂

SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C13H9NO2/c15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13/h1-8,15H

InChIKey

GHGZVWOTJDLREY-UHFFFAOYSA-N

Compound name

2-(1,3-benzoxazol-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 37
References: 2869
Patents: 211.06332 Da
Monoisotopic Mass: 3.1
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]+	212.07060	142.4
[M+Na]+	234.05254	159.0
[M+NH4]+	229.09714	151.9
[M+K]+	250.02648	153.4
[M-H]-	210.05604	148.2
[M+Na-2H]-	232.03799	152.0
[M]+	211.06277	146.6
[M]-	211.06387	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe