CID 105432297

3-cyclobutyl-2,2-difluoropropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06488 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.072156 132.1
[M+Na]+ 187.054098 137.2
[M-H]- 163.057604 131.5
[M+NH4]+ 182.098703 145.3
[M+K]+ 203.028038 139.1
[M+H-H2O]+ 147.062140 121.0
[M+HCOO]- 209.063081 148.4
[M+CH3COO]- 223.078731 178.7
[M+Na-2H]- 185.039546 136.0
[M]+ 164.06433142 136.2
[M]- 164.06542858 136.2
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.