CID 3089692

33496-55-8

Structural Information

Molecular Formula
C17H18F17NO
SMILES
CCCCCCCCNC(=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/C17H18F17NO/c1-2-3-4-5-6-7-8-35-9(36)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3,(H,35,36)
InChIKey
HFBBZVYAWZNJKL-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-octylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

575.1117 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.11898 190.5
[M+Na]+ 598.10092 196.8
[M-H]- 574.10442 197.6
[M+NH4]+ 593.14552 199.6
[M+K]+ 614.07486 206.1
[M+H-H2O]+ 558.10896 179.1
[M+HCOO]- 620.10990 206.1
[M+CH3COO]- 634.12555 253.2
[M+Na-2H]- 596.08637 187.4
[M]+ 575.11115 186.7
[M]- 575.11225 186.7
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

patents stripe