CID 2775113

2-hydroxy-2-(trifluoromethyl)butyric acid

Structural Information

Molecular Formula
C5H7F3O3
SMILES
CCC(C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C5H7F3O3/c1-2-4(11,3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)
InChIKey
HPUAIGRGCRIKGO-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(trifluoromethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

172.03473 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04201 138.9
[M+Na]+ 195.02395 144.1
[M+NH4]+ 190.06855 142.3
[M+K]+ 210.99789 142.6
[M-H]- 171.02745 130.9
[M+Na-2H]- 193.00940 138.5
[M]+ 172.03418 136.8
[M]- 172.03528 136.8
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