CID 11539210

1-methyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)imidazolium hexafluorophosphate

Structural Information

Molecular Formula
C12H10F13N2
SMILES
C[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/C12H10F13N2/c1-26-4-5-27(6-26)3-2-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H,2-3H2,1H3/q+1
InChIKey
LPLXWQSSQAKOTM-UHFFFAOYSA-N
Compound name
1-methyl-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
2
Annotation Hits

0
References

179
Patents

429.06363 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.07091 175.5
[M+Na]+ 452.05285 175.8
[M+NH4]+ 447.09745 174.8
[M+K]+ 468.02679 175.1
[M-H]- 428.05635 171.3
[M+Na-2H]- 450.03830 174.4
[M]+ 429.06308 174.2
[M]- 429.06418 174.2
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