CID 14373585

5-ethenyl-3-phenyl-1,2,4-oxadiazole

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C=CC1=NC(=NO1)C2=CC=CC=C2

InChI

InChI=1S/C10H8N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h2-7H,1H2

InChIKey

WSTDQQDNFXEASU-UHFFFAOYSA-N

Compound name

5-ethenyl-3-phenyl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 172.06366 Da
Monoisotopic Mass: 2.8
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]+	173.07094	133.6
[M+Na]+	195.05288	143.4
[M-H]-	171.05638	138.7
[M+NH4]+	190.09748	151.7
[M+K]+	211.02682	141.2
[M+H-H2O]+	155.06092	125.9
[M+HCOO]-	217.06186	157.0
[M+CH3COO]-	231.07751	147.9
[M+Na-2H]-	193.03833	141.2
[M]+	172.06311	134.8
[M]-	172.06421	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe