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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe