CID 71349287

184711-88-4

Structural Information

Molecular Formula
C7H5F7O
SMILES
CC=CC(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H5F7O/c1-2-3-4(15)5(8,6(9,10)11)7(12,13)14/h2-3H,1H3
InChIKey
XEYDAHCGYONHCL-UHFFFAOYSA-N
Compound name
1,1,1,2-tetrafluoro-2-(trifluoromethyl)hex-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.02286 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03014 140.6
[M+Na]+ 261.01208 149.6
[M-H]- 237.01558 132.5
[M+NH4]+ 256.05668 158.1
[M+K]+ 276.98602 147.3
[M+H-H2O]+ 221.02012 131.5
[M+HCOO]- 283.02106 151.6
[M+CH3COO]- 297.03671 190.5
[M+Na-2H]- 258.99753 144.3
[M]+ 238.02231 130.5
[M]- 238.02341 130.5
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.