CID 12213904

Benzaldehyde [6-chloro-8-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

Molecular Formula
C17H11ClF3N3
SMILES
C1=CC=C(C=C1)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl
InChI
InChI=1S/C17H11ClF3N3/c18-12-8-13-15(24-23-10-11-4-2-1-3-5-11)6-7-22-16(13)14(9-12)17(19,20)21/h1-10H,(H,22,24)/b23-10+
InChIKey
IWOWYMHHIJAKQC-AUEPDCJTSA-N
Compound name
N-[(E)-benzylideneamino]-6-chloro-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.05936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06664 176.9
[M+Na]+ 372.04858 187.0
[M-H]- 348.05208 180.4
[M+NH4]+ 367.09318 190.7
[M+K]+ 388.02252 178.9
[M+H-H2O]+ 332.05662 165.4
[M+HCOO]- 394.05756 192.9
[M+CH3COO]- 408.07321 217.0
[M+Na-2H]- 370.03403 183.9
[M]+ 349.05881 175.7
[M]- 349.05991 175.7
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.