CID 3738156

5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=CC(=CC=C1C2=NN=C(O2)N)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O3/c9-8-11-10-7(15-8)5-1-3-6(4-2-5)12(13)14/h1-4H,(H2,9,11)
InChIKey
PUEUDKAZSHKSOZ-UHFFFAOYSA-N
Compound name
5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

206.04399 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05127 138.4
[M+Na]+ 229.03321 146.7
[M-H]- 205.03671 143.7
[M+NH4]+ 224.07781 153.5
[M+K]+ 245.00715 141.3
[M+H-H2O]+ 189.04125 134.7
[M+HCOO]- 251.04219 163.7
[M+CH3COO]- 265.05784 179.1
[M+Na-2H]- 227.01866 147.7
[M]+ 206.04344 136.7
[M]- 206.04454 136.7
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