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
2
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 197.6
[M+Na]+ 507.08382 204.9
[M-H]- 483.08732 184.9
[M+NH4]+ 502.12842 183.4
[M+K]+ 523.05776 195.1
[M+H-H2O]+ 467.09186 183.8
[M+HCOO]- 529.09280 200.4
[M+CH3COO]- 543.10845 230.1
[M+Na-2H]- 505.06927 202.3
[M]+ 484.09405 178.9
[M]- 484.09515 178.9
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.