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

11
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 133.9
[M+Na]+ 205.04469 141.0
[M-H]- 181.04819 132.1
[M+NH4]+ 200.08929 154.8
[M+K]+ 221.01863 139.4
[M+H-H2O]+ 165.05273 127.2
[M+HCOO]- 227.05367 150.2
[M+CH3COO]- 241.06932 176.5
[M+Na-2H]- 203.03014 135.6
[M]+ 182.05492 126.7
[M]- 182.05602 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