CID 853632

2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H9ClN2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
YEKWIFYLTVBJDD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

256.04034 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04762 154.6
[M+Na]+ 279.02956 172.6
[M+NH4]+ 274.07416 164.1
[M+K]+ 295.00350 165.5
[M-H]- 255.03306 161.9
[M+Na-2H]- 277.01501 166.2
[M]+ 256.03979 159.8
[M]- 256.04089 159.8
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

No patent data available for this compound.