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]+ 587.09228 207.4
[M+Na]+ 609.07422 211.8
[M-H]- 585.07772 218.3
[M+NH4]+ 604.11882 217.5
[M+K]+ 625.04816 221.5
[M+H-H2O]+ 569.08226 190.3
[M+HCOO]- 631.08320 225.6
[M+CH3COO]- 645.09885 248.2
[M+Na-2H]- 607.05967 204.1
[M]+ 586.08445 203.9
[M]- 586.08555 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.