CID 15507525

1-(trifluoromethyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H9F3O2
SMILES
C1CCC(C1)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChIKey
DGQRYPPBAJNZFZ-UHFFFAOYSA-N
Compound name
1-(trifluoromethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

182.05547 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06275 143.3
[M+Na]+ 205.04469 148.7
[M+NH4]+ 200.08929 149.6
[M+K]+ 221.01863 145.2
[M-H]- 181.04819 138.1
[M+Na-2H]- 203.03014 145.4
[M]+ 182.05492 142.2
[M]- 182.05602 142.2
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