CID 21149805

Einecs 303-259-0

Structural Information

Molecular Formula
C17H19F19NO3
SMILES
C[N+](CCO)(CCO)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/C17H19F19NO3/c1-37(2-4-38,3-5-39)7-8(40)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,38-40H,2-7H2,1H3/q+1
InChIKey
YDVCRJOMTRQIDI-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]-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.10614 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.11342 153.9
[M+Na]+ 669.09536 154.0
[M+NH4]+ 664.13996 154.0
[M+K]+ 685.06930 154.0
[M-H]- 645.09886 153.9
[M+Na-2H]- 667.08081 153.8
[M]+ 646.10559 153.9
[M]- 646.10669 153.9
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.