CID 22424949

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

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC(=CC=C1C2=C(ON=C2)N)F
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-12-13-9(8)11/h1-5H,11H2
InChIKey
CQLJZWKEWDVHRN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

178.05424 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 132.8
[M+Na]+ 201.04346 142.8
[M-H]- 177.04696 138.0
[M+NH4]+ 196.08806 151.7
[M+K]+ 217.01740 140.6
[M+H-H2O]+ 161.05150 125.1
[M+HCOO]- 223.05244 157.1
[M+CH3COO]- 237.06809 147.1
[M+Na-2H]- 199.02891 139.2
[M]+ 178.05369 131.5
[M]- 178.05479 131.5
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