CID 83915035

3-(trifluoromethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1CC(CC1C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)5-2-1-4(3-5)6(11)12/h4-5H,1-3H2,(H,11,12)
InChIKey
NYAYYEZWRSHEMJ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.05547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.062746 133.9
[M+Na]+ 205.044688 141.0
[M-H]- 181.048194 132.1
[M+NH4]+ 200.089293 154.8
[M+K]+ 221.018628 139.4
[M+H-H2O]+ 165.052730 127.2
[M+HCOO]- 227.053671 150.2
[M+CH3COO]- 241.069321 176.5
[M+Na-2H]- 203.030136 135.6
[M]+ 182.05492142 126.7
[M]- 182.05601858 126.7
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