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
2
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 172.2
[M+Na]+ 426.99742 163.9
[M-H]- 403.00092 161.9
[M+NH4]+ 422.04202 165.9
[M+K]+ 442.97136 178.2
[M+H-H2O]+ 387.00546 159.1
[M+HCOO]- 449.00640 173.8
[M+CH3COO]- 463.02205 222.1
[M+Na-2H]- 424.98287 173.6
[M]+ 404.00765 155.1
[M]- 404.00875 155.1
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