CID 21149716

93776-18-2

Structural Information

Molecular Formula
C16H19F17NO3
SMILES
C[N+](CCO)(CCO)CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H19F17NO3/c1-34(2-4-35,3-5-36)7-8(37)6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,35-37H,2-7H2,1H3/q+1
InChIKey
KAJPAWWSWUSXLX-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

596.1094 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.11668 202.7
[M+Na]+ 619.09862 204.8
[M-H]- 595.10212 212.1
[M+NH4]+ 614.14322 209.4
[M+K]+ 635.07256 213.7
[M+H-H2O]+ 579.10666 184.5
[M+HCOO]- 641.10760 217.9
[M+CH3COO]- 655.12325 245.2
[M+Na-2H]- 617.08407 196.9
[M]+ 596.10885 197.3
[M]- 596.10995 197.3
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.