CID 12812505

82622-46-6

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO

SMILES

C1C(CN1)OC2=CC=CC=C2C(F)(F)F

InChI

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

InChIKey

UMRYPVYCXBBOJV-UHFFFAOYSA-N

Compound name

3-[2-(trifluoromethyl)phenoxy]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 217.07144 Da
Monoisotopic Mass: 2.2
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	142.4
[M+Na]+	240.06066	149.1
[M-H]-	216.06416	142.4
[M+NH4]+	235.10526	152.5
[M+K]+	256.03460	148.5
[M+H-H2O]+	200.06870	128.3
[M+HCOO]-	262.06964	157.7
[M+CH3COO]-	276.08529	186.9
[M+Na-2H]-	238.04611	147.3
[M]+	217.07089	144.9
[M]-	217.07199	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe