CID 15579285

Refchem:368417

Structural Information

Molecular Formula
C14H16F15N2O
SMILES
C[N+](C)(C)CCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F15N2O/c1-31(2,3)6-4-5-30-7(32)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h4-6H2,1-3H3/p+1
InChIKey
VJAUUPGCVZMKLX-UHFFFAOYSA-O
Compound name
trimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

513.1023 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.109576 199.5
[M+Na]+ 536.091518 207.1
[M-H]- 512.095024 210.3
[M+NH4]+ 531.136123 209.1
[M+K]+ 552.065458 212.3
[M+H-H2O]+ 496.099560 184.1
[M+HCOO]- 558.100501 218.7
[M+CH3COO]- 572.116151 241.2
[M+Na-2H]- 534.076966 195.8
[M]+ 513.10175142 194.9
[M]- 513.10284858 194.9
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

patents stripe