CID 129994633

1824425-67-3

Structural Information

Molecular Formula

C₅H₈F₂O₃

SMILES

CC(CC(F)F)(C(=O)O)O

InChI

InChI=1S/C5H8F2O3/c1-5(10,4(8)9)2-3(6)7/h3,10H,2H2,1H3,(H,8,9)

InChIKey

RKODEFGIEHTHGB-UHFFFAOYSA-N

Compound name

4,4-difluoro-2-hydroxy-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.04414 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]+	155.05142	132.1
[M+Na]+	177.03336	138.3
[M+NH4]+	172.07796	136.6
[M+K]+	193.00730	136.5
[M-H]-	153.03686	125.7
[M+Na-2H]-	175.01881	132.2
[M]+	154.04359	130.6
[M]-	154.04469	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.