CID 155820353

2567490-03-1

Structural Information

Molecular Formula
C7H9F3O3
SMILES
C1C[C@@](C[C@@H]1O)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H9F3O3/c8-7(9,10)6(5(12)13)2-1-4(11)3-6/h4,11H,1-3H2,(H,12,13)/t4-,6-/m1/s1
InChIKey
OTLMLZSMRSASQE-INEUFUBQSA-N
Compound name
(1R,3R)-3-hydroxy-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.05038 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05766 145.6
[M+Na]+ 221.03960 150.3
[M+NH4]+ 216.08420 150.9
[M+K]+ 237.01354 147.8
[M-H]- 197.04310 139.4
[M+Na-2H]- 219.02505 146.6
[M]+ 198.04983 144.0
[M]- 198.05093 144.0
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.