CID 59569079

4-(difluoromethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12F2O2
SMILES
C1CC(CCC1C(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h5-7H,1-4H2,(H,11,12)
InChIKey
YYQCHCJHDZCDSW-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

178.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 140.6
[M+Na]+ 201.06976 148.1
[M+NH4]+ 196.11436 146.9
[M+K]+ 217.04370 143.9
[M-H]- 177.07326 138.1
[M+Na-2H]- 199.05521 142.5
[M]+ 178.07999 140.4
[M]- 178.08109 140.4
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