CID 165792549

2825012-62-0

Structural Information

Molecular Formula
C9H11F3O3
SMILES
C1CC2(CCC1(CO2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H11F3O3/c10-9(11,12)8-3-1-7(2-4-8,5-15-8)6(13)14/h1-5H2,(H,13,14)
InChIKey
GAXGQMVDGWIRNL-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06602 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07330 148.5
[M+Na]+ 247.05524 154.4
[M-H]- 223.05874 141.0
[M+NH4]+ 242.09984 172.8
[M+K]+ 263.02918 153.1
[M+H-H2O]+ 207.06328 142.6
[M+HCOO]- 269.06422 153.1
[M+CH3COO]- 283.07987 187.4
[M+Na-2H]- 245.04069 160.8
[M]+ 224.06547 146.1
[M]- 224.06657 146.1
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

No patent data available for this compound.