CID 2769672

5,5,5-trifluoropentan-1-ol

Structural Information

Molecular Formula
C5H9F3O
SMILES
C(CCO)CC(F)(F)F
InChI
InChI=1S/C5H9F3O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKey
WNHMIKSCDKSJDI-UHFFFAOYSA-N
Compound name
5,5,5-trifluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

642
Patents

142.06055 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.06783 125.4
[M+Na]+ 165.04977 133.2
[M-H]- 141.05327 120.5
[M+NH4]+ 160.09437 146.4
[M+K]+ 181.02371 131.9
[M+H-H2O]+ 125.05781 119.1
[M+HCOO]- 187.05875 143.5
[M+CH3COO]- 201.07440 171.5
[M+Na-2H]- 163.03522 131.3
[M]+ 142.06000 121.5
[M]- 142.06110 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe