CID 155821234

Rac-(1r,5r,6r)-6-(trifluoromethyl)-3-oxabicyclo[3.2.0]heptane-2,4-dione

Structural Information

Molecular Formula
C7H5F3O3
SMILES
C1[C@@H]2[C@H]([C@@H]1C(F)(F)F)C(=O)OC2=O
InChI
InChI=1S/C7H5F3O3/c8-7(9,10)3-1-2-4(3)6(12)13-5(2)11/h2-4H,1H2/t2-,3-,4-/m1/s1
InChIKey
CVUBFXWXQYJFPZ-BXXZVTAOSA-N
Compound name
(1R,5R,6R)-6-(trifluoromethyl)-3-oxabicyclo[3.2.0]heptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01907 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.026346 127.8
[M+Na]+ 217.008288 136.7
[M-H]- 193.011794 129.8
[M+NH4]+ 212.052893 142.7
[M+K]+ 232.982228 138.9
[M+H-H2O]+ 177.016330 117.7
[M+HCOO]- 239.017271 144.3
[M+CH3COO]- 253.032921 184.9
[M+Na-2H]- 214.993736 132.6
[M]+ 194.01852142 133.9
[M]- 194.01961858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.