CID 54272656

2,2-difluoro-3-hydroxypentanoic acid

Structural Information

Molecular Formula
C5H8F2O3
SMILES
CCC(C(C(=O)O)(F)F)O
InChI
InChI=1S/C5H8F2O3/c1-2-3(8)5(6,7)4(9)10/h3,8H,2H2,1H3,(H,9,10)
InChIKey
RLFXUHFTSMNNLS-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

154.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05142 132.1
[M+Na]+ 177.03336 138.3
[M+NH4]+ 172.07796 136.6
[M+K]+ 193.00730 136.5
[M-H]- 153.03686 125.7
[M+Na-2H]- 175.01881 132.2
[M]+ 154.04359 130.6
[M]- 154.04469 130.6
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