CID 58288284

Ethyl 2-(2,2-difluorocyclopentyl)acetate

Structural Information

Molecular Formula

C₉H₁₄F₂O₂

SMILES

CCOC(=O)CC1CCCC1(F)F

InChI

InChI=1S/C9H14F2O2/c1-2-13-8(12)6-7-4-3-5-9(7,10)11/h7H,2-6H2,1H3

InChIKey

RSICLPQEAGBEJX-UHFFFAOYSA-N

Compound name

ethyl 2-(2,2-difluorocyclopentyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 192.09619 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]+	193.10347	139.5
[M+Na]+	215.08541	146.7
[M-H]-	191.08891	140.2
[M+NH4]+	210.13001	162.8
[M+K]+	231.05935	145.6
[M+H-H2O]+	175.09345	133.5
[M+HCOO]-	237.09439	159.4
[M+CH3COO]-	251.11004	181.6
[M+Na-2H]-	213.07086	141.7
[M]+	192.09564	137.0
[M]-	192.09674	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe