CID 238425

559-99-9

Structural Information

Molecular Formula
C10H9F7O2
SMILES
CC(=CC(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
InChI
InChI=1S/C10H9F7O2/c1-5(2)3-6(18)4-7(19)8(11,12)9(13,14)10(15,16)17/h3H,4H2,1-2H3
InChIKey
NOQZTHSTUPFMOL-UHFFFAOYSA-N
Compound name
7,7,8,8,9,9,9-heptafluoro-2-methylnon-2-ene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.04907 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05635 153.5
[M+Na]+ 317.03829 161.1
[M-H]- 293.04179 145.1
[M+NH4]+ 312.08289 168.5
[M+K]+ 333.01223 158.9
[M+H-H2O]+ 277.04633 144.1
[M+HCOO]- 339.04727 162.2
[M+CH3COO]- 353.06292 202.5
[M+Na-2H]- 315.02374 153.8
[M]+ 294.04852 144.1
[M]- 294.04962 144.1
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.