CID 779192

79349-24-9

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O

InChI

InChI=1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H

InChIKey

VNCIJMRFIRKERM-UHFFFAOYSA-N

Compound name

2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 12
Patents: 238.07423 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]+	239.08151	150.4
[M+Na]+	261.06345	159.8
[M-H]-	237.06695	157.6
[M+NH4]+	256.10805	164.7
[M+K]+	277.03739	156.2
[M+H-H2O]+	221.07149	141.5
[M+HCOO]-	283.07243	172.2
[M+CH3COO]-	297.08808	163.3
[M+Na-2H]-	259.04890	156.8
[M]+	238.07368	151.0
[M]-	238.07478	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe