CID 132371525

2155840-10-9

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1C[C@H]([C@@H](C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)5-3-1-2-4(5)6(11)12/h4-5H,1-3H2,(H,11,12)/t4-,5-/m1/s1
InChIKey
RKYLBCFPTQKTNH-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(trifluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05547 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 144.0
[M+Na]+ 205.04469 149.6
[M+NH4]+ 200.08929 148.9
[M+K]+ 221.01863 147.7
[M-H]- 181.04819 138.9
[M+Na-2H]- 203.03014 144.4
[M]+ 182.05492 142.8
[M]- 182.05602 142.8
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.