CID 12213898

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

Structural Information

Molecular Formula
C17H10ClF4N3
SMILES
C1=CC=C(C(=C1)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl)F
InChI
InChI=1S/C17H10ClF4N3/c18-11-7-12-15(25-24-9-10-3-1-2-4-14(10)19)5-6-23-16(12)13(8-11)17(20,21)22/h1-9H,(H,23,25)/b24-9+
InChIKey
XDUTZSVJEVBNJU-PGGKNCGUSA-N
Compound name
6-chloro-N-[(E)-(2-fluorophenyl)methylideneamino]-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.04993 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05721 180.3
[M+Na]+ 390.03915 191.4
[M-H]- 366.04265 182.9
[M+NH4]+ 385.08375 193.6
[M+K]+ 406.01309 182.9
[M+H-H2O]+ 350.04719 168.1
[M+HCOO]- 412.04813 195.2
[M+CH3COO]- 426.06378 220.9
[M+Na-2H]- 388.02460 186.0
[M]+ 367.04938 178.5
[M]- 367.05048 178.5
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.