CID 207929

31185-61-2

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1CCNC(OCC1)C(F)(F)F

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6-11-4-2-1-3-5-12-6/h6,11H,1-5H2

InChIKey

BPENNPDDRHXAFG-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)-1,3-oxazocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.0871 Da
Monoisotopic Mass: 1.8
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]+	184.09438	144.7
[M+Na]+	206.07632	147.0
[M+NH4]+	201.12092	146.5
[M+K]+	222.05026	147.0
[M-H]-	182.07982	143.9
[M+Na-2H]-	204.06177	146.7
[M]+	183.08655	144.6
[M]-	183.08765	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.