CID 138394382

N:3 ftbs n=4

Structural Information

Molecular Formula
C16H15F19NO2
SMILES
C[N+](C)(CCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C16H14F19NO2/c1-36(2,6-7(37)38)5-3-4-8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h3-6H2,1-2H3/p+1
InChIKey
RFIXIVBTEIYSPF-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

614.07996 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.08724 153.9
[M+Na]+ 637.06918 153.9
[M+NH4]+ 632.11378 154.0
[M+K]+ 653.04312 154.0
[M-H]- 613.07268 153.9
[M+Na-2H]- 635.05463 153.8
[M]+ 614.07941 153.9
[M]- 614.08051 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

literature stripe

Patent stripe

No patent data available for this compound.