CID 13035544

82360-94-9

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=C2)N

InChI

InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(14)16-15-8/h1-5H,14H2

InChIKey

RSEUZDISEUUYML-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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	143.4
[M+Na]+	251.04026	153.4
[M-H]-	227.04376	146.0
[M+NH4]+	246.08486	160.3
[M+K]+	267.01420	150.6
[M+H-H2O]+	211.04830	134.1
[M+HCOO]-	273.04924	163.5
[M+CH3COO]-	287.06489	188.9
[M+Na-2H]-	249.02571	148.8
[M]+	228.05049	139.5
[M]-	228.05159	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe