CID 56604187

1349719-25-0

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO

SMILES

C1C(CO1)(C2=CC(=CC=C2)C(F)(F)F)N

InChI

InChI=1S/C10H10F3NO/c11-10(12,13)8-3-1-2-7(4-8)9(14)5-15-6-9/h1-4H,5-6,14H2

InChIKey

RQVISRRMGVHPRR-UHFFFAOYSA-N

Compound name

3-[3-(trifluoromethyl)phenyl]oxetan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 217.07144 Da
Monoisotopic Mass: 1.1
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]+	218.07872	143.3
[M+Na]+	240.06066	150.4
[M-H]-	216.06416	146.6
[M+NH4]+	235.10526	155.5
[M+K]+	256.03460	151.6
[M+H-H2O]+	200.06870	130.5
[M+HCOO]-	262.06964	160.8
[M+CH3COO]-	276.08529	190.4
[M+Na-2H]-	238.04611	149.8
[M]+	217.07089	146.3
[M]-	217.07199	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe