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 133.4
[M+Na]+ 209.03960 140.6
[M-H]- 185.04310 127.4
[M+NH4]+ 204.08420 151.7
[M+K]+ 225.01354 139.9
[M+H-H2O]+ 169.04764 127.8
[M+HCOO]- 231.04858 146.9
[M+CH3COO]- 245.06423 177.0
[M+Na-2H]- 207.02505 137.0
[M]+ 186.04983 128.3
[M]- 186.05093 128.3
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