CID 577329

1874-38-0

Structural Information

Molecular Formula
C14H9N3O3
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9N3O3/c18-17(19)12-8-4-7-11(9-12)14-16-15-13(20-14)10-5-2-1-3-6-10/h1-9H
InChIKey
PPAQPCTUYHOPLY-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

267.0644 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07168 156.8
[M+Na]+ 290.05362 164.4
[M-H]- 266.05712 165.3
[M+NH4]+ 285.09822 169.4
[M+K]+ 306.02756 157.5
[M+H-H2O]+ 250.06166 151.7
[M+HCOO]- 312.06260 180.8
[M+CH3COO]- 326.07825 189.3
[M+Na-2H]- 288.03907 165.4
[M]+ 267.06385 156.3
[M]- 267.06495 156.3
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