CID 75608

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

Structural Information

Molecular Formula
C14H8Cl2N2O
SMILES
C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H
InChIKey
VZHHQRLWCMQJJJ-UHFFFAOYSA-N
Compound name
2,5-bis(4-chlorophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
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