CID 59496135

4,4,4-trifluoro-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C6H9F3O2
SMILES
CC(C)(CC(=O)O)C(F)(F)F
InChI
InChI=1S/C6H9F3O2/c1-5(2,3-4(10)11)6(7,8)9/h3H2,1-2H3,(H,10,11)
InChIKey
RMYUXDFMYRGZNC-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

170.05547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 140.8
[M+Na]+ 193.04469 146.8
[M+NH4]+ 188.08929 145.0
[M+K]+ 209.01863 144.2
[M-H]- 169.04819 133.8
[M+Na-2H]- 191.03014 141.1
[M]+ 170.05492 139.2
[M]- 170.05602 139.2
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

patents stripe