CID 91926696

1823842-47-2

Structural Information

Molecular Formula
C6H9F3O3
SMILES
CC(C)C(C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C6H9F3O3/c1-3(2)5(12,4(10)11)6(7,8)9/h3,12H,1-2H3,(H,10,11)
InChIKey
NGFONSQDXLSELQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methyl-2-(trifluoromethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.05038 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05766 143.0
[M+Na]+ 209.03960 147.7
[M+NH4]+ 204.08420 146.2
[M+K]+ 225.01354 146.7
[M-H]- 185.04310 134.8
[M+Na-2H]- 207.02505 142.0
[M]+ 186.04983 140.8
[M]- 186.05093 140.8
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