CID 3658277

N-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula
C15H12F17NO
SMILES
C1CCC(CC1)NC(=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/C15H12F17NO/c16-8(17,7(34)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6H,1-5H2,(H,33,34)
InChIKey
ISODSYQUAODSLH-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

545.06476 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.07204 209.2
[M+Na]+ 568.05398 183.4
[M-H]- 544.05748 183.8
[M+NH4]+ 563.09858 184.5
[M+K]+ 584.02792 210.7
[M+H-H2O]+ 528.06202 192.7
[M+HCOO]- 590.06296 196.7
[M+CH3COO]- 604.07861 245.6
[M+Na-2H]- 566.03943 209.5
[M]+ 545.06421 171.7
[M]- 545.06531 171.7
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

No patent data available for this compound.