CID 14538

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

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C(C=C1)C2N=NC(=O)O2

InChI

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

InChIKey

NVXPWAAHRICPQU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 162.04292 Da
Monoisotopic Mass: 2.2
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	130.7
[M+Na]+	185.03214	144.4
[M+NH4]+	180.07674	138.8
[M+K]+	201.00608	140.6
[M-H]-	161.03564	134.3
[M+Na-2H]-	183.01759	138.6
[M]+	162.04237	133.6
[M]-	162.04347	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe