CID 155943722

En300-27735415

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1C[C@H]([C@@H]1CC(=O)O)C(F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)5-2-1-4(5)3-6(11)12/h4-5H,1-3H2,(H,11,12)/t4-,5+/m0/s1
InChIKey
XOKQDXCIBUJFBV-CRCLSJGQSA-N
Compound name
2-[(1S,2R)-2-(trifluoromethyl)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 150.1
[M+Na]+ 205.04469 152.6
[M+NH4]+ 200.08929 151.3
[M+K]+ 221.01863 150.4
[M-H]- 181.04819 142.8
[M+Na-2H]- 203.03014 148.3
[M]+ 182.05492 146.8
[M]- 182.05602 146.8
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.