CID 16072297

4-[(7-chloro-4-quinolyl)hydrazono]-1,1,1-trifluoro-pentan-2-one

Structural Information

Molecular Formula
C14H11ClF3N3O
SMILES
CC(=NNC1=C2C=CC(=CC2=NC=C1)Cl)CC(=O)C(F)(F)F
InChI
InChI=1S/C14H11ClF3N3O/c1-8(6-13(22)14(16,17)18)20-21-11-4-5-19-12-7-9(15)2-3-10(11)12/h2-5,7H,6H2,1H3,(H,19,21)
InChIKey
VZQAHGMVJYTUKL-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)hydrazinylidene]-1,1,1-trifluoropentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.05426 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06154 169.2
[M+Na]+ 352.04348 178.0
[M-H]- 328.04698 169.7
[M+NH4]+ 347.08808 183.9
[M+K]+ 368.01742 172.3
[M+H-H2O]+ 312.05152 159.6
[M+HCOO]- 374.05246 183.5
[M+CH3COO]- 388.06811 214.0
[M+Na-2H]- 350.02893 174.1
[M]+ 329.05371 168.5
[M]- 329.05481 168.5
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.