CID 71337867

5-(undecafluoropentyl)-1h-imidazole

Structural Information

Molecular Formula

C₈H₃F₁₁N₂

SMILES

C1=C(NC=N1)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H3F11N2/c9-4(10,3-1-20-2-21-3)5(11,12)6(13,14)7(15,16)8(17,18)19/h1-2H,(H,20,21)

InChIKey

WMIGMTHEMXUBFV-UHFFFAOYSA-N

Compound name

5-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 336.01205 Da
Monoisotopic Mass: 3.7
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]+	337.019326	160.1
[M+Na]+	359.001268	169.6
[M-H]-	335.004774	147.4
[M+NH4]+	354.045873	171.4
[M+K]+	374.975208	165.2
[M+H-H2O]+	319.009310	146.3
[M+HCOO]-	381.010251	161.9
[M+CH3COO]-	395.025901	205.2
[M+Na-2H]-	356.986716	164.1
[M]+	336.01150142	142.0
[M]-	336.01259858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.