CID 12960072

3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C10H7F3N2O
SMILES
C1=CC(=CC=C1C2=NOC(=C2)N)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)16-15-8/h1-5H,14H2
InChIKey
SFBXQIVENKIUIQ-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.05104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.058316 143.4
[M+Na]+ 251.040258 153.4
[M-H]- 227.043764 146.0
[M+NH4]+ 246.084863 160.3
[M+K]+ 267.014198 150.6
[M+H-H2O]+ 211.048300 134.1
[M+HCOO]- 273.049241 163.5
[M+CH3COO]- 287.064891 188.9
[M+Na-2H]- 249.025706 148.8
[M]+ 228.05049142 139.5
[M]- 228.05158858 139.5
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