CID 6874057

N'-[(e)-(pentafluorophenyl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C13H6F5N3O
SMILES
C1=CN=CC=C1C(=O)N/N=C/C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C13H6F5N3O/c14-8-7(9(15)11(17)12(18)10(8)16)5-20-21-13(22)6-1-3-19-4-2-6/h1-5H,(H,21,22)/b20-5+
InChIKey
DDLPYEMVPZSLQU-DENHBWNVSA-N
Compound name
N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.0431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05038 164.3
[M+Na]+ 338.03232 175.4
[M-H]- 314.03582 165.6
[M+NH4]+ 333.07692 177.9
[M+K]+ 354.00626 169.7
[M+H-H2O]+ 298.04036 151.1
[M+HCOO]- 360.04130 185.2
[M+CH3COO]- 374.05695 213.6
[M+Na-2H]- 336.01777 166.1
[M]+ 315.04255 159.5
[M]- 315.04365 159.5
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.