CID 2748515

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n,n-diphenylnonanamide

Structural Information

Molecular Formula
C21H10F17NO
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)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
InChI
InChI=1S/C21H10F17NO/c22-14(23,13(40)39(11-7-3-1-4-8-11)12-9-5-2-6-10-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-10H
InChIKey
IDJHICNQDCLWAB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-diphenylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

615.0491 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.05638 224.6
[M+Na]+ 638.03832 232.1
[M-H]- 614.04182 213.9
[M+NH4]+ 633.08292 226.2
[M+K]+ 654.01226 226.7
[M+H-H2O]+ 598.04636 205.4
[M+HCOO]- 660.04730 218.0
[M+CH3COO]- 674.06295 258.2
[M+Na-2H]- 636.02377 226.1
[M]+ 615.04855 199.9
[M]- 615.04965 199.9
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.