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

34
Patents

178.08054 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 135.9
[M+Na]+ 201.069758 140.7
[M-H]- 177.073264 134.6
[M+NH4]+ 196.114363 154.8
[M+K]+ 217.043698 139.2
[M+H-H2O]+ 161.077800 129.4
[M+HCOO]- 223.078741 150.9
[M+CH3COO]- 237.094391 176.5
[M+Na-2H]- 199.055206 139.4
[M]+ 178.07999142 127.9
[M]- 178.08108858 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