CID 101266884

Ns00114950

Structural Information

Molecular Formula
C20H12F17N2
SMILES
C1=CN=CC=C1C2=CC=[N+](C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H12F17N2/c21-13(22,5-10-39-8-3-12(4-9-39)11-1-6-38-7-2-11)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h1-4,6-9H,5,10H2/q+1
InChIKey
JIDBBTSSEGCAGV-UHFFFAOYSA-N
Compound name
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-4-pyridin-4-ylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.0729 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.08018 226.0
[M+Na]+ 626.06212 234.7
[M-H]- 602.06562 212.8
[M+NH4]+ 621.10672 225.6
[M+K]+ 642.03606 222.6
[M+H-H2O]+ 586.07016 208.0
[M+HCOO]- 648.07110 216.1
[M+CH3COO]- 662.08675 247.6
[M+Na-2H]- 624.04757 231.2
[M]+ 603.07235 200.5
[M]- 603.07345 200.5
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

No patent data available for this compound.