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 132.3
[M+Na]+ 203.04026 140.7
[M-H]- 179.04376 128.2
[M+NH4]+ 198.08486 150.6
[M+K]+ 219.01420 138.9
[M+H-H2O]+ 163.04830 123.4
[M+HCOO]- 225.04924 148.9
[M+CH3COO]- 239.06489 175.9
[M+Na-2H]- 201.02571 137.0
[M]+ 180.05049 127.6
[M]- 180.05159 127.6
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.