CID 12960072

81465-84-1

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: 2
Patents: 228.05104 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.05832	150.1
[M+Na]+	251.04026	159.6
[M+NH4]+	246.08486	155.6
[M+K]+	267.01420	156.5
[M-H]-	227.04376	149.7
[M+Na-2H]-	249.02571	155.0
[M]+	228.05049	151.0
[M]-	228.05159	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe