CID 14089951

3-acetyl-5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione

Structural Information

Molecular Formula
C10H7F9O3
SMILES
CC(=O)C(C(=O)C)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F9O3/c1-3(20)5(4(2)21)6(22)7(11,12)8(13,14)9(15,16)10(17,18)19/h5H,1-2H3
InChIKey
HVLNFEAJGJQHFN-UHFFFAOYSA-N
Compound name
3-acetyl-5,5,6,6,7,7,8,8,8-nonafluorooctane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

346.02515 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03243 158.5
[M+Na]+ 369.01437 166.3
[M-H]- 345.01787 148.1
[M+NH4]+ 364.05897 163.8
[M+K]+ 384.98831 164.9
[M+H-H2O]+ 329.02241 148.0
[M+HCOO]- 391.02335 166.1
[M+CH3COO]- 405.03900 212.1
[M+Na-2H]- 366.99982 158.3
[M]+ 346.02460 146.5
[M]- 346.02570 146.5
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

No patent data available for this compound.