CID 177842

5,8-quinolinedione, 6-((n-2,3-dichlorophenyl)amino)-7-chloro-

Structural Information

Molecular Formula
C15H7Cl3N2O2
SMILES
C1=CC2=C(C(=O)C(=C(C2=O)NC3=CC(=C(C=C3)Cl)Cl)Cl)N=C1
InChI
InChI=1S/C15H7Cl3N2O2/c16-9-4-3-7(6-10(9)17)20-13-11(18)15(22)12-8(14(13)21)2-1-5-19-12/h1-6,20H
InChIKey
LPWWSOCSEPTZJN-UHFFFAOYSA-N
Compound name
7-chloro-6-(3,4-dichloroanilino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.9573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.96458 172.9
[M+Na]+ 374.94652 185.3
[M-H]- 350.95002 177.9
[M+NH4]+ 369.99112 187.3
[M+K]+ 390.92046 177.7
[M+H-H2O]+ 334.95456 166.5
[M+HCOO]- 396.95550 180.4
[M+CH3COO]- 410.97115 183.8
[M+Na-2H]- 372.93197 176.2
[M]+ 351.95675 177.1
[M]- 351.95785 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe