CID 13172592

3-trifluoromethylperfluoro-2-pentanone

Structural Information

Molecular Formula
C6F12O
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C6F12O/c7-2(5(13,14)15,1(19)3(8,9)10)4(11,12)6(16,17)18
InChIKey
ZCMKVKJEDNRBMG-UHFFFAOYSA-N
Compound name
1,1,1,3,4,4,5,5,5-nonafluoro-3-(trifluoromethyl)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

315.97574 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.98302 180.6
[M+Na]+ 338.96496 180.7
[M+NH4]+ 334.00956 179.7
[M+K]+ 354.93890 179.1
[M-H]- 314.96846 175.0
[M+Na-2H]- 336.95041 178.3
[M]+ 315.97519 178.8
[M]- 315.97629 178.8
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