CID 96854

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

Structural Information

Molecular Formula
C14H8Cl2N2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2O/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H
InChIKey
CCNNEJPCNXRSQA-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

290.00137 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.008646 161.9
[M+Na]+ 312.990588 173.6
[M-H]- 288.994094 169.3
[M+NH4]+ 308.035193 176.4
[M+K]+ 328.964528 167.6
[M+H-H2O]+ 272.998630 153.1
[M+HCOO]- 334.999571 174.8
[M+CH3COO]- 349.015221 174.4
[M+Na-2H]- 310.976036 166.2
[M]+ 290.00082142 166.5
[M]- 290.00191858 166.5
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