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]+ 165.07216 134.9
[M+Na]+ 187.05410 140.2
[M-H]- 163.05760 134.6
[M+NH4]+ 182.09870 149.9
[M+K]+ 203.02804 142.2
[M+H-H2O]+ 147.06214 124.6
[M+HCOO]- 209.06308 151.7
[M+CH3COO]- 223.07873 178.8
[M+Na-2H]- 185.03955 137.8
[M]+ 164.06433 139.2
[M]- 164.06543 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.