CID 115011849

4,4-difluoro-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula

C₆H₁₀F₂O₂

SMILES

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

InChI

InChI=1S/C6H10F2O2/c1-6(2,5(7)8)3-4(9)10/h5H,3H2,1-2H3,(H,9,10)

InChIKey

GFVUMPMTUSZRAR-UHFFFAOYSA-N

Compound name

4,4-difluoro-3,3-dimethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 152.06488 Da
Monoisotopic Mass: 1.8
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]+	153.07216	133.7
[M+Na]+	175.05410	140.8
[M+NH4]+	170.09870	139.0
[M+K]+	191.02804	137.9
[M-H]-	151.05760	128.4
[M+Na-2H]-	173.03955	134.6
[M]+	152.06433	132.7
[M]-	152.06543	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe