CID 11539210

Schembl3399070

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
3
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 180.9
[M+Na]+ 452.05285 190.5
[M-H]- 428.05635 168.3
[M+NH4]+ 447.09745 189.2
[M+K]+ 468.02679 181.1
[M+H-H2O]+ 412.06089 168.2
[M+HCOO]- 474.06183 179.5
[M+CH3COO]- 488.07748 219.9
[M+Na-2H]- 450.03830 186.5
[M]+ 429.06308 161.5
[M]- 429.06418 161.5
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