CID 2755363

Ac1nwiq6

Structural Information

Molecular Formula
C18H7Cl4NO2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=C(C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)O
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/h1-6,24H
InChIKey
WBZYNECVDWSRCA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-3-hydroxy-2-quinolin-2-ylinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

408.9231 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.930376 187.9
[M+Na]+ 431.912318 202.2
[M-H]- 407.915824 191.5
[M+NH4]+ 426.956923 202.4
[M+K]+ 447.886258 193.9
[M+H-H2O]+ 391.920360 182.4
[M+HCOO]- 453.921301 187.9
[M+CH3COO]- 467.936951 197.5
[M+Na-2H]- 429.897766 186.8
[M]+ 408.92255142 193.7
[M]- 408.92364858 193.7
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