CID 75480559

1-(difluoromethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12F2O2
SMILES
C1CCC(CC1)(C(F)F)C(=O)O
InChI
InChI=1S/C8H12F2O2/c9-6(10)8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H,11,12)
InChIKey
SJBBIXFGRIPQOY-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 140.9
[M+Na]+ 201.06976 148.2
[M+NH4]+ 196.11436 148.6
[M+K]+ 217.04370 142.2
[M-H]- 177.07326 138.4
[M+Na-2H]- 199.05521 144.5
[M]+ 178.07999 140.9
[M]- 178.08109 140.9
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

No patent data available for this compound.