CID 15956954

3-nitro-2-[5-(3-nitro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine

Structural Information

Molecular Formula
C13H7N5O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NO2)C3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C13H7N5O5/c19-17(20)9-4-1-3-8(7-9)13-15-12(16-23-13)11-10(18(21)22)5-2-6-14-11/h1-7H
InChIKey
WZLVBRMZNYDRSB-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-3-(3-nitropyridin-2-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.0447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05198 167.1
[M+Na]+ 336.03392 172.9
[M-H]- 312.03742 174.6
[M+NH4]+ 331.07852 174.9
[M+K]+ 352.00786 162.3
[M+H-H2O]+ 296.04196 165.0
[M+HCOO]- 358.04290 189.8
[M+CH3COO]- 372.05855 193.1
[M+Na-2H]- 334.01937 177.8
[M]+ 313.04415 164.7
[M]- 313.04525 164.7
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

patents stripe