CID 155943665

2613385-92-3

Structural Information

Molecular Formula
C8H9F3O3
SMILES
C1CC2CC1C(O2)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H9F3O3/c9-8(10,11)7(6(12)13)4-1-2-5(3-4)14-7/h4-5H,1-3H2,(H,12,13)
InChIKey
ZEEPMUOFNYFPOM-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane-3-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 147.3
[M+Na]+ 233.03960 151.7
[M+NH4]+ 228.08420 153.7
[M+K]+ 249.01354 150.6
[M-H]- 209.04310 142.1
[M+Na-2H]- 231.02505 146.1
[M]+ 210.04983 146.0
[M]- 210.05093 146.0
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.