CID 94431

N-heptafluorobutyrylimidazole

Structural Information

Molecular Formula

C₇H₃F₇N₂O

SMILES

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

InChI

InChI=1S/C7H3F7N2O/c8-5(9,6(10,11)7(12,13)14)4(17)16-2-1-15-3-16/h1-3H

InChIKey

MSYHGYDAVLDKCE-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 418
Patents: 264.01337 Da
Monoisotopic Mass: 2.4
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]+	265.02065	170.4
[M+Na]+	287.00259	172.6
[M+NH4]+	282.04719	170.6
[M+K]+	302.97653	171.3
[M-H]-	263.00609	161.5
[M+Na-2H]-	284.98804	169.1
[M]+	264.01282	167.6
[M]-	264.01392	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe