CID 424643

Sydnone, diphenyl-

Structural Information

Molecular Formula

C₁₄H₁₁N₂O₂

SMILES

C1=CC=C(C=C1)C2=[N+](NOC2=O)C3=CC=CC=C3

InChI

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

InChIKey

PGIGJNLLKIEZGR-UHFFFAOYSA-O

Compound name

3,4-diphenyl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 239.08205 Da
Monoisotopic Mass: 3.6
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]+	240.08933	153.1
[M+Na]+	262.07127	162.4
[M-H]-	238.07477	160.5
[M+NH4]+	257.11587	167.0
[M+K]+	278.04521	152.7
[M+H-H2O]+	222.07931	146.9
[M+HCOO]-	284.08025	174.7
[M+CH3COO]-	298.09590	179.7
[M+Na-2H]-	260.05672	161.7
[M]+	239.08150	151.7
[M]-	239.08260	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe