CID 11400829

1,1,1-trifluoro-3-methylbutan-2-ol

Structural Information

Molecular Formula
C5H9F3O
SMILES
CC(C)C(C(F)(F)F)O
InChI
InChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKey
FPIWJHHQCNHQIC-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

142.06055 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06783 125.1
[M+Na]+ 165.04977 132.5
[M-H]- 141.05327 120.5
[M+NH4]+ 160.09437 146.0
[M+K]+ 181.02371 132.2
[M+H-H2O]+ 125.05781 119.1
[M+HCOO]- 187.05875 141.3
[M+CH3COO]- 201.07440 173.2
[M+Na-2H]- 163.03522 128.6
[M]+ 142.06000 119.9
[M]- 142.06110 119.9
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