CID 28309116

1040683-08-6

Structural Information

Molecular Formula

C₈H₁₁F₃O₂

SMILES

CCOC(=O)C1(CCC1)C(F)(F)F

InChI

InChI=1S/C8H11F3O2/c1-2-13-6(12)7(4-3-5-7)8(9,10)11/h2-5H2,1H3

InChIKey

AYUISFJYNKIHDD-UHFFFAOYSA-N

Compound name

ethyl 1-(trifluoromethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 196.07112 Da
Monoisotopic Mass: 2.4
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]+	197.07840	140.2
[M+Na]+	219.06034	146.4
[M-H]-	195.06384	140.0
[M+NH4]+	214.10494	155.0
[M+K]+	235.03428	148.6
[M+H-H2O]+	179.06838	129.3
[M+HCOO]-	241.06932	156.7
[M+CH3COO]-	255.08497	185.2
[M+Na-2H]-	217.04579	144.6
[M]+	196.07057	145.5
[M]-	196.07167	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe