CID 138394353

N:3 ftbs n=2

Structural Information

Molecular Formula
C12H15F11NO2
SMILES
C[N+](C)(CCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C12H14F11NO2/c1-24(2,6-7(25)26)5-3-4-8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h3-6H2,1-2H3/p+1
InChIKey
AVOCDJCZFLQTCS-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,8-undecafluorooctyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

414.0927 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09998 187.7
[M+Na]+ 437.08192 187.8
[M+NH4]+ 432.12652 186.7
[M+K]+ 453.05586 170.8
[M-H]- 413.08542 181.5
[M+Na-2H]- 435.06737 185.1
[M]+ 414.09215 185.8
[M]- 414.09325 185.8
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.