CID 3018976

80909-29-1

Structural Information

Molecular Formula
C15H15F19NO
SMILES
C[N+](C)(C)CC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C15H15F19NO/c1-35(2,3)5-6(36)4-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h6,36H,4-5H2,1-3H3/q+1
InChIKey
MGOWOXJUPIMVLG-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

586.085 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.092276 207.4
[M+Na]+ 609.074218 211.8
[M-H]- 585.077724 218.3
[M+NH4]+ 604.118823 217.5
[M+K]+ 625.048158 221.5
[M+H-H2O]+ 569.082260 190.3
[M+HCOO]- 631.083201 225.6
[M+CH3COO]- 645.098851 248.2
[M+Na-2H]- 607.059666 204.1
[M]+ 586.08445142 203.9
[M]- 586.08554858 203.9
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.