CID 61496860

610791-42-9

Structural Information

Molecular Formula
C12H12F2O2
SMILES
C1CCC(C1)(C2=CC(=CC(=C2)F)F)C(=O)O
InChI
InChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(11(15)16)3-1-2-4-12/h5-7H,1-4H2,(H,15,16)
InChIKey
LYNZEVPXFDEQTD-UHFFFAOYSA-N
Compound name
1-(3,5-difluorophenyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.08054 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08782 146.4
[M+Na]+ 249.06976 154.3
[M-H]- 225.07326 149.5
[M+NH4]+ 244.11436 167.5
[M+K]+ 265.04370 150.7
[M+H-H2O]+ 209.07780 139.5
[M+HCOO]- 271.07874 165.5
[M+CH3COO]- 285.09439 185.3
[M+Na-2H]- 247.05521 148.1
[M]+ 226.07999 141.3
[M]- 226.08109 141.3
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

patents stripe