CID 83478822

4-fluorooxolane-3-carboxylic acid

Structural Information

Molecular Formula

SMILES

C1C(C(CO1)F)C(=O)O

InChI

InChI=1S/C5H7FO3/c6-4-2-9-1-3(4)5(7)8/h3-4H,1-2H2,(H,7,8)

InChIKey

SGMXGNVDKCRUNA-UHFFFAOYSA-N

Compound name

4-fluorooxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 134.03792 Da
Monoisotopic Mass: -0.2
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]+	135.04520	122.5
[M+Na]+	157.02714	129.9
[M-H]-	133.03064	124.1
[M+NH4]+	152.07174	144.0
[M+K]+	173.00108	130.5
[M+H-H2O]+	117.03518	117.4
[M+HCOO]-	179.03612	142.5
[M+CH3COO]-	193.05177	167.2
[M+Na-2H]-	155.01259	126.7
[M]+	134.03737	119.7
[M]-	134.03847	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.