CID 1715369

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

Structural Information

Molecular Formula
C14H8N4O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H8N4O5/c19-17(20)11-5-1-3-9(7-11)13-15-16-14(23-13)10-4-2-6-12(8-10)18(21)22/h1-8H
InChIKey
MBOTVYMOQXKMAR-UHFFFAOYSA-N
Compound name
2,5-bis(3-nitrophenyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.04947 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05675 168.4
[M+Na]+ 335.03869 184.0
[M+NH4]+ 330.08329 174.7
[M+K]+ 351.01263 185.0
[M-H]- 311.04219 176.3
[M+Na-2H]- 333.02414 176.8
[M]+ 312.04892 172.6
[M]- 312.05002 172.6
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