CID 2782404

(perfluoroheptanoyl)acetone

Structural Information

Molecular Formula
C10H5F13O2
SMILES
CC(=O)CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F13O2/c1-3(24)2-4(25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H2,1H3
InChIKey
VMRLNPHYYNLINM-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.0082 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01548 180.7
[M+Na]+ 426.99742 180.5
[M+NH4]+ 422.04202 179.6
[M+K]+ 442.97136 179.4
[M-H]- 403.00092 176.0
[M+Na-2H]- 424.98287 178.7
[M]+ 404.00765 179.1
[M]- 404.00875 179.1
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

patents stripe