CID 12756975

7-ethyl-1,1,1,2,2,3,3-heptafluorononane-4,6-dione

Structural Information

Molecular Formula
C11H13F7O2
SMILES
CCC(CC)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F7O2/c1-3-6(4-2)7(19)5-8(20)9(12,13)10(14,15)11(16,17)18/h6H,3-5H2,1-2H3
InChIKey
NOSIICKOBIURRM-UHFFFAOYSA-N
Compound name
7-ethyl-1,1,1,2,2,3,3-heptafluorononane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

310.08038 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08766 160.1
[M+Na]+ 333.06960 166.9
[M-H]- 309.07310 151.3
[M+NH4]+ 328.11420 174.4
[M+K]+ 349.04354 165.0
[M+H-H2O]+ 293.07764 150.3
[M+HCOO]- 355.07858 168.2
[M+CH3COO]- 369.09423 207.0
[M+Na-2H]- 331.05505 159.7
[M]+ 310.07983 151.8
[M]- 310.08093 151.8
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.