CID 54499458

4-(pentafluoroethyl)oxane-2,6-dione

Structural Information

Molecular Formula
C7H5F5O3
SMILES
C1C(CC(=O)OC1=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C7H5F5O3/c8-6(9,7(10,11)12)3-1-4(13)15-5(14)2-3/h3H,1-2H2
InChIKey
YBKLQKIRKBDJFG-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,2-pentafluoroethyl)oxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

232.01588 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02316 139.2
[M+Na]+ 255.00510 148.0
[M-H]- 231.00860 137.2
[M+NH4]+ 250.04970 155.8
[M+K]+ 270.97904 147.3
[M+H-H2O]+ 215.01314 130.7
[M+HCOO]- 277.01408 151.8
[M+CH3COO]- 291.02973 187.3
[M+Na-2H]- 252.99055 144.1
[M]+ 232.01533 131.1
[M]- 232.01643 131.1
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

patents stripe