CID 568865

2,2,3,3,4,4,5,5,6,6,6-undecafluoro-n-(2-phenylethyl)hexanamide

Structural Information

Molecular Formula
C14H10F11NO
SMILES
C1=CC=C(C=C1)CCNC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H10F11NO/c15-10(16,9(27)26-7-6-8-4-2-1-3-5-8)11(17,18)12(19,20)13(21,22)14(23,24)25/h1-5H,6-7H2,(H,26,27)
InChIKey
RYQZIXCMWPWVAD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-(2-phenylethyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

417.0587 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.06598 183.2
[M+Na]+ 440.04792 190.4
[M-H]- 416.05142 173.2
[M+NH4]+ 435.09252 192.3
[M+K]+ 456.02186 185.7
[M+H-H2O]+ 400.05596 168.8
[M+HCOO]- 462.05690 186.7
[M+CH3COO]- 476.07255 225.1
[M+Na-2H]- 438.03337 185.8
[M]+ 417.05815 166.5
[M]- 417.05925 166.5
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.