CID 60984259

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

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=CC(=CC=C1C2=NOC(=N2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H4ClN3O3/c9-8-10-7(11-15-8)5-1-3-6(4-2-5)12(13)14/h1-4H
InChIKey
SKMDYDZRWCQKHI-UHFFFAOYSA-N
Compound name
5-chloro-3-(4-nitrophenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00141 140.4
[M+Na]+ 247.98335 155.9
[M+NH4]+ 243.02795 148.3
[M+K]+ 263.95729 154.4
[M-H]- 223.98685 145.3
[M+Na-2H]- 245.96880 148.3
[M]+ 224.99358 144.2
[M]- 224.99468 144.2
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

No patent data available for this compound.