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 135.1
[M+Na]+ 205.04469 141.2
[M-H]- 181.04819 133.6
[M+NH4]+ 200.08929 147.9
[M+K]+ 221.01863 142.7
[M+H-H2O]+ 165.05273 123.4
[M+HCOO]- 227.05367 150.4
[M+CH3COO]- 241.06932 181.9
[M+Na-2H]- 203.03014 137.7
[M]+ 182.05492 138.3
[M]- 182.05602 138.3
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.