CID 352208

5-phenyl-1,3,4-oxadiazol-2-ol

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C(C=C1)C2=NNC(=O)O2

InChI

InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)

InChIKey

RFJQGIYJJLWZJP-UHFFFAOYSA-N

Compound name

5-phenyl-3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 118
Patents: 162.04292 Da
Monoisotopic Mass: 1.4
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]+	163.05020	130.0
[M+Na]+	185.03214	144.1
[M+NH4]+	180.07674	137.8
[M+K]+	201.00608	140.3
[M-H]-	161.03564	133.2
[M+Na-2H]-	183.01759	138.1
[M]+	162.04237	132.8
[M]-	162.04347	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe