CID 80695924

1521610-61-6

Structural Information

Molecular Formula

C₈H₁₃FO₃

SMILES

C1COCCC1(CCF)C(=O)O

InChI

InChI=1S/C8H13FO3/c9-4-1-8(7(10)11)2-5-12-6-3-8/h1-6H2,(H,10,11)

InChIKey

NLPIJVNEUMYWNW-UHFFFAOYSA-N

Compound name

4-(2-fluoroethyl)oxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.08487 Da
Monoisotopic Mass: 0.6
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]+	177.09215	139.1
[M+Na]+	199.07409	147.7
[M+NH4]+	194.11869	147.3
[M+K]+	215.04803	141.6
[M-H]-	175.07759	139.2
[M+Na-2H]-	197.05954	143.1
[M]+	176.08432	140.1
[M]-	176.08542	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.