CID 79425843

1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CC(C1)(CC(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O2/c8-5(9)4-7(6(10)11)2-1-3-7/h5H,1-4H2,(H,10,11)
InChIKey
YVDNLJJRPYJSCF-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 134.9
[M+Na]+ 187.054098 140.2
[M-H]- 163.057604 134.6
[M+NH4]+ 182.098703 149.9
[M+K]+ 203.028038 142.2
[M+H-H2O]+ 147.062140 124.6
[M+HCOO]- 209.063081 151.7
[M+CH3COO]- 223.078731 178.8
[M+Na-2H]- 185.039546 137.8
[M]+ 164.06433142 139.2
[M]- 164.06542858 139.2
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.