CID 12213901

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

Structural Information

Molecular Formula
C17H10Cl2F3N3
SMILES
C1=CC=C(C(=C1)/C=N/NC2=C3C=C(C=C(C3=NC=C2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C17H10Cl2F3N3/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
LOSAYOSWDZTGBB-PGGKNCGUSA-N
Compound name
6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-8-(trifluoromethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0204 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.02768 183.2
[M+Na]+ 406.00962 194.5
[M-H]- 382.01312 186.3
[M+NH4]+ 401.05422 196.4
[M+K]+ 421.98356 185.5
[M+H-H2O]+ 366.01766 172.5
[M+HCOO]- 428.01860 194.1
[M+CH3COO]- 442.03425 222.1
[M+Na-2H]- 403.99507 188.6
[M]+ 383.01985 184.0
[M]- 383.02095 184.0
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.