CID 363531

Nsc628463

Structural Information

Molecular Formula
C15H7ClN2O4
SMILES
C1=CC=C(C(=C1)C2=CC(=NC3=C2C(=O)C=CC3=O)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H7ClN2O4/c16-13-7-9(8-3-1-2-4-10(8)18(21)22)14-11(19)5-6-12(20)15(14)17-13/h1-7H
InChIKey
UZKDZFXJBKTKPW-UHFFFAOYSA-N
Compound name
2-chloro-4-(2-nitrophenyl)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.00943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.01671 166.5
[M+Na]+ 336.99865 176.2
[M-H]- 313.00215 173.2
[M+NH4]+ 332.04325 180.6
[M+K]+ 352.97259 166.7
[M+H-H2O]+ 297.00669 163.2
[M+HCOO]- 359.00763 184.4
[M+CH3COO]- 373.02328 199.1
[M+Na-2H]- 334.98410 173.5
[M]+ 314.00888 168.0
[M]- 314.00998 168.0
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.