CID 100821

1-(2,2,3,3,3-pentafluoro-1-oxopropyl)-1h-imidazole

Structural Information

Molecular Formula
C6H3F5N2O
SMILES
C1=CN(C=N1)C(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6H3F5N2O/c7-5(8,6(9,10)11)4(14)13-2-1-12-3-13/h1-3H
InChIKey
VZUSRIIEPFQBNE-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoro-1-imidazol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

35
Patents

214.01656 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.02384 135.6
[M+Na]+ 237.00578 145.3
[M-H]- 213.00928 130.7
[M+NH4]+ 232.05038 153.1
[M+K]+ 252.97972 143.4
[M+H-H2O]+ 197.01382 125.4
[M+HCOO]- 259.01476 150.1
[M+CH3COO]- 273.03041 183.2
[M+Na-2H]- 234.99123 140.5
[M]+ 214.01601 128.9
[M]- 214.01711 128.9
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