CID 79423708

5,5-difluoropentan-2-one

Structural Information

Molecular Formula
C5H8F2O
SMILES
CC(=O)CCC(F)F
InChI
InChI=1S/C5H8F2O/c1-4(8)2-3-5(6)7/h5H,2-3H2,1H3
InChIKey
DQIKUJQMKMSQMO-UHFFFAOYSA-N
Compound name
5,5-difluoropentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

122.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.061596 120.9
[M+Na]+ 145.043538 128.4
[M-H]- 121.047044 118.8
[M+NH4]+ 140.088143 143.2
[M+K]+ 161.017478 128.5
[M+H-H2O]+ 105.051580 115.0
[M+HCOO]- 167.052521 141.4
[M+CH3COO]- 181.068171 172.5
[M+Na-2H]- 143.028986 125.0
[M]+ 122.05377142 118.8
[M]- 122.05486858 118.8
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