CID 63900424

1,1,1-trifluoro-3-(1h-imidazol-1-yl)propan-2-ol

Structural Information

Molecular Formula
C6H7F3N2O
SMILES
C1=CN(C=N1)CC(C(F)(F)F)O
InChI
InChI=1S/C6H7F3N2O/c7-6(8,9)5(12)3-11-2-1-10-4-11/h1-2,4-5,12H,3H2
InChIKey
HPXDNDMIZLIWCN-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.05104 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05832 138.6
[M+Na]+ 203.04026 145.5
[M+NH4]+ 198.08486 143.0
[M+K]+ 219.01420 143.8
[M-H]- 179.04376 132.9
[M+Na-2H]- 201.02571 141.0
[M]+ 180.05049 137.4
[M]- 180.05159 137.4
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.