CID 21149712

93776-16-0

Structural Information

Molecular Formula
C20H19F25NO3
SMILES
C[N+](CCO)(CCO)CC(CC(C(C(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)(F)F)(F)F)O
InChI
InChI=1S/C20H19F25NO3/c1-46(2-4-47,3-5-48)7-8(49)6-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h8,47-49H,2-7H2,1H3/q+1
InChIKey
LGBYZJHQZDMBKT-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-methyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

796.09656 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 797.10384 231.8
[M+Na]+ 819.08578 232.1
[M-H]- 795.08928 244.9
[M+NH4]+ 814.13038 241.5
[M+K]+ 835.05972 246.5
[M+H-H2O]+ 779.09382 212.3
[M+HCOO]- 841.09476 244.9
[M+CH3COO]- 855.11041 268.0
[M+Na-2H]- 817.07123 228.0
[M]+ 796.09601 226.9
[M]- 796.09711 226.9
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.