CID 73767

1-(trifluoroacetyl)imidazole

Structural Information

Molecular Formula

C₅H₃F₃N₂O

SMILES

C1=CN(C=N1)C(=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H

InChIKey

SINBGNJPYWNUQI-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-imidazol-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 826
Patents: 164.01974 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.02702	126.0
[M+Na]+	187.00896	135.7
[M-H]-	163.01246	123.6
[M+NH4]+	182.05356	145.7
[M+K]+	202.98290	134.5
[M+H-H2O]+	147.01700	117.2
[M+HCOO]-	209.01794	144.7
[M+CH3COO]-	223.03359	174.0
[M+Na-2H]-	184.99441	131.8
[M]+	164.01919	122.1
[M]-	164.02029	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe