CID 138394378

N:3 ftbs n=3

Structural Information

Molecular Formula
C14H15F15NO2
SMILES
C[N+](C)(CCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C14H14F15NO2/c1-30(2,6-7(31)32)5-3-4-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h3-6H2,1-2H3/p+1
InChIKey
MUFIWHPMPKICTJ-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6
Patents

514.0863 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.09358 193.3
[M+Na]+ 537.07552 198.9
[M-H]- 513.07902 202.5
[M+NH4]+ 532.12012 202.5
[M+K]+ 553.04946 205.0
[M+H-H2O]+ 497.08356 178.1
[M+HCOO]- 559.08450 212.8
[M+CH3COO]- 573.10015 236.9
[M+Na-2H]- 535.06097 189.4
[M]+ 514.08575 190.1
[M]- 514.08685 190.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.