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
2
Annotation Hits

0
References

128
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 152.3
[M+Na]+ 338.96496 162.3
[M-H]- 314.96846 139.4
[M+NH4]+ 334.00956 165.9
[M+K]+ 354.93890 159.8
[M+H-H2O]+ 298.97300 139.9
[M+HCOO]- 360.97394 155.2
[M+CH3COO]- 374.98959 204.9
[M+Na-2H]- 336.95041 155.4
[M]+ 315.97519 133.8
[M]- 315.97629 133.8
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