CID 163773

N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexanecarboxamide

Structural Information

Molecular Formula
C13H4F11N3O5
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13H4F11N3O5/c14-8(7(28)25-5-2-1-4(26(29)30)3-6(5)27(31)32)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-3H,(H,25,28)
InChIKey
ZEISQELFDVREFM-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

490.99753 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.00481 171.8
[M+Na]+ 513.98675 172.8
[M+NH4]+ 509.03135 172.8
[M+K]+ 529.96069 170.5
[M-H]- 489.99025 167.7
[M+Na-2H]- 511.97220 172.9
[M]+ 490.99698 170.7
[M]- 490.99808 170.7
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