CID 155820298

4-methyl-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H9F3O3
SMILES
CC12CC(C1)(OC2C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H9F3O3/c1-6-2-7(3-6,5(12)13)14-4(6)8(9,10)11/h4H,2-3H2,1H3,(H,12,13)
InChIKey
KSNRJJWMMOFMDF-UHFFFAOYSA-N
Compound name
4-methyl-3-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05038 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05766 145.8
[M+Na]+ 233.03960 146.2
[M+NH4]+ 228.08420 150.4
[M+K]+ 249.01354 145.2
[M-H]- 209.04310 136.6
[M+Na-2H]- 231.02505 141.3
[M]+ 210.04983 142.0
[M]- 210.05093 142.0
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.