CID 274355

4,4,4-trifluoro-3-methylbutan-1-ol

Structural Information

Molecular Formula
C5H9F3O
SMILES
CC(CCO)C(F)(F)F
InChI
InChI=1S/C5H9F3O/c1-4(2-3-9)5(6,7)8/h4,9H,2-3H2,1H3
InChIKey
JHKAMWUCXKBJBI-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

142.06055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06783 133.5
[M+Na]+ 165.04977 140.4
[M+NH4]+ 160.09437 138.8
[M+K]+ 181.02371 136.5
[M-H]- 141.05327 127.9
[M+Na-2H]- 163.03522 134.7
[M]+ 142.06000 132.5
[M]- 142.06110 132.5
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