CID 83136000

1546738-49-1

Structural Information

Molecular Formula
C8H13F3O2
SMILES
CC(C)(C)C(CC(F)(F)F)C(=O)O
InChI
InChI=1S/C8H13F3O2/c1-7(2,3)5(6(12)13)4-8(9,10)11/h5H,4H2,1-3H3,(H,12,13)
InChIKey
UPQLCMWTLMHLED-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,4,4-trifluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08676 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09404 149.2
[M+Na]+ 221.07598 154.4
[M+NH4]+ 216.12058 152.9
[M+K]+ 237.04992 152.2
[M-H]- 197.07948 141.9
[M+Na-2H]- 219.06143 148.6
[M]+ 198.08621 147.4
[M]- 198.08731 147.4
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

No patent data available for this compound.