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]+ 195.02635 150.6
[M+Na]+ 217.00829 153.6
[M+NH4]+ 212.05289 152.2
[M+K]+ 232.98223 153.1
[M-H]- 193.01179 144.5
[M+Na-2H]- 214.99374 147.3
[M]+ 194.01852 147.8
[M]- 194.01962 147.8
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.