CID 112756363

3-(difluoromethoxy)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1C(CC1OC(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O3/c7-6(8)11-4-1-3(2-4)5(9)10/h3-4,6H,1-2H2,(H,9,10)
InChIKey
VFSSYJZLKXRHEJ-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

166.04414 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 140.9
[M+Na]+ 189.03336 143.9
[M+NH4]+ 184.07796 142.6
[M+K]+ 205.00730 142.3
[M-H]- 165.03686 134.7
[M+Na-2H]- 187.01881 139.6
[M]+ 166.04359 137.9
[M]- 166.04469 137.9
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