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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.01933 160.1
[M+Na]+ 359.00127 169.6
[M-H]- 335.00477 147.4
[M+NH4]+ 354.04587 171.4
[M+K]+ 374.97521 165.2
[M+H-H2O]+ 319.00931 146.3
[M+HCOO]- 381.01025 161.9
[M+CH3COO]- 395.02590 205.2
[M+Na-2H]- 356.98672 164.1
[M]+ 336.01150 142.0
[M]- 336.01260 142.0
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.