CID 14573424

1,1,1-trifluorooct-7-ene-2,4-dione

Structural Information

Molecular Formula
C8H9F3O2
SMILES
C=CCCC(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C8H9F3O2/c1-2-3-4-6(12)5-7(13)8(9,10)11/h2H,1,3-5H2
InChIKey
BOTTWJJMYFQBRN-UHFFFAOYSA-N
Compound name
1,1,1-trifluorooct-7-ene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.05547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06275 136.6
[M+Na]+ 217.04469 144.1
[M-H]- 193.04819 133.0
[M+NH4]+ 212.08929 155.9
[M+K]+ 233.01863 142.5
[M+H-H2O]+ 177.05273 129.9
[M+HCOO]- 239.05367 154.2
[M+CH3COO]- 253.06932 184.0
[M+Na-2H]- 215.03014 139.3
[M]+ 194.05492 133.9
[M]- 194.05602 133.9
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