CID 12260139

3-phenyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C(C=C1)C2=NOC=N2
InChI
InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-9-6-11-10-8/h1-6H
InChIKey
JJBDWBUEPCGFMN-UHFFFAOYSA-N
Compound name
3-phenyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

749
Patents

146.04802 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05530 125.1
[M+Na]+ 169.03724 134.4
[M-H]- 145.04074 130.0
[M+NH4]+ 164.08184 143.9
[M+K]+ 185.01118 133.5
[M+H-H2O]+ 129.04528 117.4
[M+HCOO]- 191.04622 149.0
[M+CH3COO]- 205.06187 139.8
[M+Na-2H]- 167.02269 134.5
[M]+ 146.04747 125.9
[M]- 146.04857 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe