CID 6455176

65687-00-5

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O

SMILES

C1COC(=N1)NC(C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C11H11F3N2O/c12-11(13,14)9(8-4-2-1-3-5-8)16-10-15-6-7-17-10/h1-5,9H,6-7H2,(H,15,16)

InChIKey

FYSRTGQDTZCAFG-UHFFFAOYSA-N

Compound name

N-(2,2,2-trifluoro-1-phenylethyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 244.08235 Da
Monoisotopic Mass: 2.3
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]+	245.089626	149.2
[M+Na]+	267.071568	155.7
[M-H]-	243.075074	151.1
[M+NH4]+	262.116173	165.0
[M+K]+	283.045508	153.7
[M+H-H2O]+	227.079610	139.3
[M+HCOO]-	289.080551	167.3
[M+CH3COO]-	303.096201	190.8
[M+Na-2H]-	265.057016	154.4
[M]+	244.08180142	143.8
[M]-	244.08289858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe