CID 12619087

27908-75-4

Structural Information

Molecular Formula
C18H7Cl4NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl
InChI
InChI=1S/C18H7Cl4NO2/c19-13-11-12(14(20)16(22)15(13)21)18(25)10(17(11)24)9-6-5-7-3-1-2-4-8(7)23-9/h1-6,10H
InChIKey
FTQURCYYMGCGDB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

408.9231 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.930376 189.8
[M+Na]+ 431.912318 203.8
[M-H]- 407.915824 194.2
[M+NH4]+ 426.956923 204.8
[M+K]+ 447.886258 195.7
[M+H-H2O]+ 391.920360 183.8
[M+HCOO]- 453.921301 189.9
[M+CH3COO]- 467.936951 199.5
[M+Na-2H]- 429.897766 188.0
[M]+ 408.92255142 195.1
[M]- 408.92364858 195.1
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