CID 3752405

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-n-(4-methoxyphenyl)octanamide

Structural Information

Molecular Formula
C15H8F15NO2
SMILES
COC1=CC=C(C=C1)NC(=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/C15H8F15NO2/c1-33-7-4-2-6(3-5-7)31-8(32)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3,(H,31,32)
InChIKey
DSPWNJWBOWPKLF-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(4-methoxyphenyl)octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.03156 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.03884 202.8
[M+Na]+ 542.02078 211.2
[M-H]- 518.02428 190.0
[M+NH4]+ 537.06538 175.4
[M+K]+ 557.99472 206.9
[M+H-H2O]+ 502.02882 186.5
[M+HCOO]- 564.02976 187.6
[M+CH3COO]- 578.04541 242.1
[M+Na-2H]- 540.00623 204.9
[M]+ 519.03101 181.1
[M]- 519.03211 181.1
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.