CID 20543349

Sodium 5,5,5-trifluoro-4-hydroxypentanoate

Structural Information

Molecular Formula
C5H7F3O3
SMILES
C(CC(=O)O)C(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O3/c6-5(7,8)3(9)1-2-4(10)11/h3,9H,1-2H2,(H,10,11)
InChIKey
ZRKUGOYMESVCEI-UHFFFAOYSA-N
Compound name
5,5,5-trifluoro-4-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.03473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04201 138.3
[M+Na]+ 195.02395 143.5
[M+NH4]+ 190.06855 141.8
[M+K]+ 210.99789 141.6
[M-H]- 171.02745 130.7
[M+Na-2H]- 193.00940 137.6
[M]+ 172.03418 136.2
[M]- 172.03528 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.