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]+ 180.056756 132.7
[M+Na]+ 202.038698 143.1
[M-H]- 178.042204 136.6
[M+NH4]+ 197.083303 150.2
[M+K]+ 218.012638 141.0
[M+H-H2O]+ 162.046740 124.1
[M+HCOO]- 224.047681 156.0
[M+CH3COO]- 238.063331 146.7
[M+Na-2H]- 200.024146 139.5
[M]+ 179.04893142 131.6
[M]- 179.05002858 131.6
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