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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 125.7
[M+Na]+ 159.059198 132.6
[M-H]- 135.062704 123.5
[M+NH4]+ 154.103803 147.3
[M+K]+ 175.033138 132.8
[M+H-H2O]+ 119.067240 119.7
[M+HCOO]- 181.068181 144.8
[M+CH3COO]- 195.083831 176.4
[M+Na-2H]- 157.044646 127.9
[M]+ 136.06943142 123.3
[M]- 136.07052858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe