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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.