CID 3022245

Einecs 297-940-9

Structural Information

Molecular Formula
C19H24F17N2O3
SMILES
C[N+](C)(CCCNCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)CCC(=O)O
InChI
InChI=1S/C19H23F17N2O3/c1-38(2,7-4-11(40)41)6-3-5-37-9-10(39)8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10,37,39H,3-9H2,1-2H3/p+1
InChIKey
IYAILADQVOJMHN-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

651.15155 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.158826 216.9
[M+Na]+ 674.140768 220.8
[M-H]- 650.144274 229.3
[M+NH4]+ 669.185373 226.0
[M+K]+ 690.114708 230.0
[M+H-H2O]+ 634.148810 198.9
[M+HCOO]- 696.149751 229.3
[M+CH3COO]- 710.165401 257.8
[M+Na-2H]- 672.126216 210.8
[M]+ 651.15100142 210.1
[M]- 651.15209858 210.1
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.