CID 28907858

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

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=CC=C(C(=C1)C2=NON=C2N)F
InChI
InChI=1S/C8H6FN3O/c9-6-4-2-1-3-5(6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKey
CHYRTZDRTVDTOT-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.04948 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe