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

112
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 125.4
[M+Na]+ 165.04977 133.0
[M-H]- 141.05327 120.7
[M+NH4]+ 160.09437 146.4
[M+K]+ 181.02371 132.2
[M+H-H2O]+ 125.05781 119.2
[M+HCOO]- 187.05875 142.5
[M+CH3COO]- 201.07440 172.3
[M+Na-2H]- 163.03522 130.1
[M]+ 142.06000 120.8
[M]- 142.06110 120.8
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