CID 4110287

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-(4-fluorophenyl)nonanamide

Structural Information

Molecular Formula
C15H5F18NO
SMILES
C1=CC(=CC=C1NC(=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)F
InChI
InChI=1S/C15H5F18NO/c16-5-1-3-6(4-2-5)34-7(35)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H,(H,34,35)
InChIKey
WYHGHNIBXSPBLM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-fluorophenyl)nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

557.00836 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.01564 211.0
[M+Na]+ 579.99758 220.0
[M-H]- 556.00108 178.9
[M+NH4]+ 575.04218 179.8
[M+K]+ 595.97152 214.9
[M+H-H2O]+ 540.00562 193.4
[M+HCOO]- 602.00656 191.0
[M+CH3COO]- 616.02221 247.8
[M+Na-2H]- 577.98303 212.0
[M]+ 557.00781 166.1
[M]- 557.00891 166.1
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.