CID 23365713

2-cyclohexyl-2,2-difluoroacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

178.08054 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08782 135.9
[M+Na]+ 201.06976 140.7
[M-H]- 177.07326 134.6
[M+NH4]+ 196.11436 154.8
[M+K]+ 217.04370 139.2
[M+H-H2O]+ 161.07780 129.4
[M+HCOO]- 223.07874 150.9
[M+CH3COO]- 237.09439 176.5
[M+Na-2H]- 199.05521 139.4
[M]+ 178.07999 127.9
[M]- 178.08109 127.9
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