CID 83670256

1504681-05-3

Structural Information

Molecular Formula

C₆H₈F₂O₃

SMILES

C1COCC(C1C(=O)O)(F)F

InChI

InChI=1S/C6H8F2O3/c7-6(8)3-11-2-1-4(6)5(9)10/h4H,1-3H2,(H,9,10)

InChIKey

GPLIATFXEYJWET-UHFFFAOYSA-N

Compound name

3,3-difluorooxane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 166.04414 Da
Monoisotopic Mass: 0.4
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]+	167.05142	135.6
[M+Na]+	189.03336	143.8
[M+NH4]+	184.07796	143.0
[M+K]+	205.00730	138.4
[M-H]-	165.03686	134.1
[M+Na-2H]-	187.01881	138.9
[M]+	166.04359	136.0
[M]-	166.04469	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe