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
2
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 210.3
[M+Na]+ 669.09536 211.9
[M-H]- 645.09886 220.9
[M+NH4]+ 664.13996 217.9
[M+K]+ 685.06930 222.4
[M+H-H2O]+ 629.10340 191.4
[M+HCOO]- 691.10434 225.1
[M+CH3COO]- 705.11999 251.5
[M+Na-2H]- 667.08081 204.9
[M]+ 646.10559 204.9
[M]- 646.10669 204.9
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.