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]+ 241.045786 141.0
[M+Na]+ 263.027728 149.4
[M-H]- 239.031234 132.9
[M+NH4]+ 258.072333 158.3
[M+K]+ 279.001668 148.1
[M+H-H2O]+ 223.035770 131.9
[M+HCOO]- 285.036711 150.8
[M+CH3COO]- 299.052361 193.0
[M+Na-2H]- 261.013176 143.5
[M]+ 240.03796142 130.9
[M]- 240.03905858 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.