CID 12735373

1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one

Structural Information

Molecular Formula
C7H7F7O
SMILES
CC(C)C(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H7F7O/c1-3(2)4(15)5(8,6(9,10)11)7(12,13)14/h3H,1-2H3
InChIKey
ANKPHPVKEKGBFK-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-4-methyl-2-(trifluoromethyl)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.03851 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04579 141.0
[M+Na]+ 263.02773 149.4
[M-H]- 239.03123 132.9
[M+NH4]+ 258.07233 158.3
[M+K]+ 279.00167 148.1
[M+H-H2O]+ 223.03577 131.9
[M+HCOO]- 285.03671 150.8
[M+CH3COO]- 299.05236 193.0
[M+Na-2H]- 261.01318 143.5
[M]+ 240.03796 130.9
[M]- 240.03906 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.