CID 80057475

3-(2,2-difluoroethoxy)propanoic acid

Structural Information

Molecular Formula
C5H8F2O3
SMILES
C(COCC(F)F)C(=O)O
InChI
InChI=1S/C5H8F2O3/c6-4(7)3-10-2-1-5(8)9/h4H,1-3H2,(H,8,9)
InChIKey
PFFXQCPSPCUEAN-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.04414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 127.6
[M+Na]+ 177.03336 134.6
[M-H]- 153.03686 123.8
[M+NH4]+ 172.07796 147.7
[M+K]+ 193.00730 134.6
[M+H-H2O]+ 137.04140 121.3
[M+HCOO]- 199.04234 147.0
[M+CH3COO]- 213.05799 173.7
[M+Na-2H]- 175.01881 131.0
[M]+ 154.04359 126.5
[M]- 154.04469 126.5
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.