CID 228892

4,4,4-trifluoro-3-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H5F3O3
SMILES
C(C(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
InChIKey
ASQMUMZEQLWJRC-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

158.01907 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02635 134.2
[M+Na]+ 181.00829 139.6
[M+NH4]+ 176.05289 137.9
[M+K]+ 196.98223 137.9
[M-H]- 157.01179 126.6
[M+Na-2H]- 178.99374 133.8
[M]+ 158.01852 132.2
[M]- 158.01962 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe