CID 12888

2,5-diphenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKey
DCJKUXYSYJBBRD-UHFFFAOYSA-N
Compound name
2,5-diphenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

2011
Patents

222.07932 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 146.6
[M+Na]+ 245.06854 155.6
[M-H]- 221.07204 154.6
[M+NH4]+ 240.11314 162.0
[M+K]+ 261.04248 152.3
[M+H-H2O]+ 205.07658 137.4
[M+HCOO]- 267.07752 169.7
[M+CH3COO]- 281.09317 159.9
[M+Na-2H]- 243.05399 154.1
[M]+ 222.07877 147.2
[M]- 222.07987 147.2
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