CID 2748495

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

Structural Information

Molecular Formula
C15H5F17N2O3
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)[N+](=O)[O-]
InChI
InChI=1S/C15H5F17N2O3/c16-8(17,7(35)33-5-1-3-6(4-2-5)34(36)37)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H,(H,33,35)
InChIKey
CUOUHXHRFRMHRU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-nitrophenyl)nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

584.00287 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.01015 190.2
[M+Na]+ 606.99209 198.1
[M-H]- 582.99559 203.1
[M+NH4]+ 602.03669 202.4
[M+K]+ 622.96603 205.0
[M+H-H2O]+ 567.00013 173.7
[M+HCOO]- 629.00107 210.1
[M+CH3COO]- 643.01672 245.2
[M+Na-2H]- 604.97754 188.3
[M]+ 584.00232 182.8
[M]- 584.00342 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.