CID 32971

2,5-bis(4-chloro-3-nitrophenyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C14H6Cl2N4O5
SMILES
C1=CC(=C(C=C1C2=NN=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-])Cl
InChI
InChI=1S/C14H6Cl2N4O5/c15-9-3-1-7(5-11(9)19(21)22)13-17-18-14(25-13)8-2-4-10(16)12(6-8)20(23)24/h1-6H
InChIKey
XDJOUQBOFCTFFW-UHFFFAOYSA-N
Compound name
2,5-bis(4-chloro-3-nitrophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.97153 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.97881 181.7
[M+Na]+ 402.96075 199.0
[M+NH4]+ 398.00535 188.3
[M+K]+ 418.93469 198.4
[M-H]- 378.96425 189.3
[M+Na-2H]- 400.94620 189.3
[M]+ 379.97098 186.7
[M]- 379.97208 186.7
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.