CID 67132432

2297599-09-6

Structural Information

Molecular Formula

C₅H₆F₂O₃

SMILES

C1C(CC1(F)F)(C(=O)O)O

InChI

InChI=1S/C5H6F2O3/c6-5(7)1-4(10,2-5)3(8)9/h10H,1-2H2,(H,8,9)

InChIKey

NYIZTUJIWYBWHZ-UHFFFAOYSA-N

Compound name

3,3-difluoro-1-hydroxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 152.0285 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]+	153.03578	135.9
[M+Na]+	175.01772	139.3
[M+NH4]+	170.06232	140.2
[M+K]+	190.99166	134.5
[M-H]-	151.02122	129.5
[M+Na-2H]-	173.00317	137.8
[M]+	152.02795	133.3
[M]-	152.02905	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe