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 154.7
[M+Na]+ 279.02956 165.3
[M-H]- 255.03306 162.7
[M+NH4]+ 274.07416 169.8
[M+K]+ 295.00350 160.3
[M+H-H2O]+ 239.03760 145.7
[M+HCOO]- 301.03854 172.9
[M+CH3COO]- 315.05419 167.8
[M+Na-2H]- 277.01501 160.7
[M]+ 256.03979 157.7
[M]- 256.04089 157.7
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.