CID 97294505

Ethyl 2-(1-fluorocyclobutyl)acetate

Structural Information

Molecular Formula

C₈H₁₃FO₂

SMILES

CCOC(=O)CC1(CCC1)F

InChI

InChI=1S/C8H13FO2/c1-2-11-7(10)6-8(9)4-3-5-8/h2-6H2,1H3

InChIKey

OWNOSXYZBAABSG-UHFFFAOYSA-N

Compound name

ethyl 2-(1-fluorocyclobutyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.08995 Da
Monoisotopic Mass: 1.5
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]+	161.09723	133.2
[M+Na]+	183.07917	138.9
[M-H]-	159.08267	135.5
[M+NH4]+	178.12377	149.5
[M+K]+	199.05311	141.6
[M+H-H2O]+	143.08721	123.6
[M+HCOO]-	205.08815	153.4
[M+CH3COO]-	219.10380	180.2
[M+Na-2H]-	181.06462	138.3
[M]+	160.08940	141.6
[M]-	160.09050	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.