CID 21149714

93776-17-1

Structural Information

Molecular Formula
C18H19F21NO3
SMILES
C[N+](CCO)(CCO)CC(CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C18H19F21NO3/c1-40(2-4-41,3-5-42)7-8(43)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,41-43H,2-7H2,1H3/q+1
InChIKey
AKQAVWIRXVCNOB-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-hydroxytridecyl)-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

696.10297 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.11025 217.3
[M+Na]+ 719.09219 218.4
[M-H]- 695.09569 228.8
[M+NH4]+ 714.13679 225.8
[M+K]+ 735.06613 230.5
[M+H-H2O]+ 679.10023 198.0
[M+HCOO]- 741.10117 231.5
[M+CH3COO]- 755.11682 258.1
[M+Na-2H]- 717.07764 212.4
[M]+ 696.10242 212.2
[M]- 696.10352 212.2
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.