CID 162396611

Dtxsid801032674

Structural Information

Molecular Formula
C16H15F13NO
SMILES
CC(CF)OC(C(C(C(C(C(CC[N+]1=CC=CC=C1)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H15F13NO/c1-10(9-17)31-16(28,29)15(26,27)14(24,25)13(22,23)12(20,21)11(18,19)5-8-30-6-3-2-4-7-30/h2-4,6-7,10H,5,8-9H2,1H3/q+1
InChIKey
KXTGYFWBNVKGFC-UHFFFAOYSA-N
Compound name
1-[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-8-(1-fluoropropan-2-yloxy)octyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.0946 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.10188 175.5
[M+Na]+ 507.08382 175.8
[M+NH4]+ 502.12842 174.8
[M+K]+ 523.05776 175.0
[M-H]- 483.08732 171.5
[M+Na-2H]- 505.06927 174.6
[M]+ 484.09405 174.3
[M]- 484.09515 174.3
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

No patent data available for this compound.