CID 167714617

3-[(trifluoromethoxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H9F3O3
SMILES
C1C2(CC1(C2)C(=O)O)COC(F)(F)F
InChI
InChI=1S/C8H9F3O3/c9-8(10,11)14-4-6-1-7(2-6,3-6)5(12)13/h1-4H2,(H,12,13)
InChIKey
ZTYWFGUXJQJZDN-UHFFFAOYSA-N
Compound name
3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05766 165.8
[M+Na]+ 233.03960 169.6
[M-H]- 209.04310 165.1
[M+NH4]+ 228.08420 170.2
[M+K]+ 249.01354 174.8
[M+H-H2O]+ 193.04764 152.0
[M+HCOO]- 255.04858 173.9
[M+CH3COO]- 269.06423 210.0
[M+Na-2H]- 231.02505 170.4
[M]+ 210.04983 187.9
[M]- 210.05093 187.9
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.