CID 20113026

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

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=CC(=CC(=C1)F)C2=NN=C(O2)N
InChI
InChI=1S/C8H6FN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
MECVUWDGVBDYDC-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.04948 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05676 134.5
[M+Na]+ 202.03870 147.3
[M+NH4]+ 197.08330 142.0
[M+K]+ 218.01264 143.7
[M-H]- 178.04220 137.5
[M+Na-2H]- 200.02415 141.9
[M]+ 179.04893 137.0
[M]- 179.05003 137.0
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