CID 13200424

5-(4-fluorophenyl)isoxazol-3-amine

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC(=CC=C1C2=CC(=NO2)N)F
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-9(11)12-13-8/h1-5H,(H2,11,12)
InChIKey
WPJQKMNQXKXFFN-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

178.05424 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 135.2
[M+Na]+ 201.04346 148.0
[M+NH4]+ 196.08806 143.3
[M+K]+ 217.01740 143.9
[M-H]- 177.04696 139.0
[M+Na-2H]- 199.02891 142.8
[M]+ 178.05369 137.9
[M]- 178.05479 137.9
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