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]+ 797.103836 231.8
[M+Na]+ 819.085778 232.1
[M-H]- 795.089284 244.9
[M+NH4]+ 814.130383 241.5
[M+K]+ 835.059718 246.5
[M+H-H2O]+ 779.093820 212.3
[M+HCOO]- 841.094761 244.9
[M+CH3COO]- 855.110411 268.0
[M+Na-2H]- 817.071226 228.0
[M]+ 796.09601142 226.9
[M]- 796.09710858 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.