CID 787278

52596-95-9

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c1-10-2-4-11(5-3-10)14-17-18-15(19-14)12-6-8-13(16)9-7-12/h2-9H,1H3
InChIKey
PKOGFGUFEGZNBO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

270.056 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 159.6
[M+Na]+ 293.04522 170.8
[M-H]- 269.04872 167.9
[M+NH4]+ 288.08982 174.6
[M+K]+ 309.01916 165.6
[M+H-H2O]+ 253.05326 150.7
[M+HCOO]- 315.05420 177.6
[M+CH3COO]- 329.06985 172.6
[M+Na-2H]- 291.03067 164.4
[M]+ 270.05545 163.4
[M]- 270.05655 163.4
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