CID 16218769

1-butyl-3-[2-(tridecafluorohexyl)ethyl]-1h-imidazole-3-ium

Structural Information

Molecular Formula
C15H16F13N2
SMILES
CCCC[N+]1=CN(C=C1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H16F13N2/c1-2-3-5-29-7-8-30(9-29)6-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-9H,2-6H2,1H3/q+1
InChIKey
QZVUOOXCKWZIDW-UHFFFAOYSA-N
Compound name
1-butyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

38
Patents

471.1106 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.11788 194.6
[M+Na]+ 494.09982 203.0
[M-H]- 470.10332 181.5
[M+NH4]+ 489.14442 201.4
[M+K]+ 510.07376 193.0
[M+H-H2O]+ 454.10786 181.4
[M+HCOO]- 516.10880 192.2
[M+CH3COO]- 530.12445 227.9
[M+Na-2H]- 492.08527 198.8
[M]+ 471.11005 176.3
[M]- 471.11115 176.3
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

patents stripe