CID 2779182

4-(trifluoromethyl)cyclohexanecarboxylic acid

Structural Information

Molecular Formula
C8H11F3O2
SMILES
C1CC(CCC1C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKey
LMEAZIIFLVDISW-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

751
Patents

196.07112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 146.8
[M+Na]+ 219.06034 153.1
[M+NH4]+ 214.10494 151.8
[M+K]+ 235.03428 149.3
[M-H]- 195.06384 142.3
[M+Na-2H]- 217.04579 147.9
[M]+ 196.07057 145.9
[M]- 196.07167 145.9
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