CID 137942243

2120625-68-3

Structural Information

Molecular Formula

C₈H₁₃FO₂

SMILES

CCOC(=O)C(C1CCC1)F

InChI

InChI=1S/C8H13FO2/c1-2-11-8(10)7(9)6-4-3-5-6/h6-7H,2-5H2,1H3

InChIKey

WLAXZPWDTYMHAX-UHFFFAOYSA-N

Compound name

ethyl 2-cyclobutyl-2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.08995 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]+	161.097226	133.7
[M+Na]+	183.079168	138.2
[M-H]-	159.082674	135.5
[M+NH4]+	178.123773	147.7
[M+K]+	199.053108	141.2
[M+H-H2O]+	143.087210	122.6
[M+HCOO]-	205.088151	152.7
[M+CH3COO]-	219.103801	181.5
[M+Na-2H]-	181.064616	136.3
[M]+	160.08940142	141.0
[M]-	160.09049858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe