CID 238290

Ethyl pentafluoroethyl ethyl ketone

Structural Information

Molecular Formula
C5H5F5O
SMILES
CCC(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H5F5O/c1-2-3(11)4(6,7)5(8,9)10/h2H2,1H3
InChIKey
GODCHPKYUKOQKA-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoropentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

176.02606 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03334 127.6
[M+Na]+ 199.01528 136.4
[M-H]- 175.01878 122.0
[M+NH4]+ 194.05988 147.7
[M+K]+ 214.98922 135.5
[M+H-H2O]+ 159.02332 120.0
[M+HCOO]- 221.02426 142.7
[M+CH3COO]- 235.03991 180.4
[M+Na-2H]- 197.00073 132.5
[M]+ 176.02551 121.0
[M]- 176.02661 121.0
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