CID 145874762

5,5-difluoro-4-methylpentan-2-one

Structural Information

Molecular Formula

C₆H₁₀F₂O

SMILES

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

InChI

InChI=1S/C6H10F2O/c1-4(6(7)8)3-5(2)9/h4,6H,3H2,1-2H3

InChIKey

RAIKVPSHQOLTIZ-UHFFFAOYSA-N

Compound name

5,5-difluoro-4-methylpentan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 136.06998 Da
Monoisotopic Mass: 1.5
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]+	137.07726	130.7
[M+Na]+	159.05920	138.7
[M+NH4]+	154.10380	137.0
[M+K]+	175.03314	134.6
[M-H]-	135.06270	126.9
[M+Na-2H]-	157.04465	132.4
[M]+	136.06943	130.3
[M]-	136.07053	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe