CID 252254

Cyclooctyl trifluoroacetate

Structural Information

Molecular Formula

C₁₀H₁₅F₃O₂

SMILES

C1CCCC(CCC1)OC(=O)C(F)(F)F

InChI

InChI=1S/C10H15F3O2/c11-10(12,13)9(14)15-8-6-4-2-1-3-5-7-8/h8H,1-7H2

InChIKey

AXWMFWDPPKYELQ-UHFFFAOYSA-N

Compound name

cyclooctyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.10242 Da
Monoisotopic Mass: 4.1
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]+	225.10970	150.3
[M+Na]+	247.09164	154.2
[M-H]-	223.09514	150.1
[M+NH4]+	242.13624	158.4
[M+K]+	263.06558	154.7
[M+H-H2O]+	207.09968	145.9
[M+HCOO]-	269.10062	156.9
[M+CH3COO]-	283.11627	223.6
[M+Na-2H]-	245.07709	149.7
[M]+	224.10187	146.9
[M]-	224.10297	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.