CID 487313

8-(2,5-dichlorophenoxy)-5-nitroquinoline

Structural Information

Molecular Formula
C15H8Cl2N2O3
SMILES
C1=CC2=C(C=CC(=C2N=C1)OC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H8Cl2N2O3/c16-9-3-4-11(17)14(8-9)22-13-6-5-12(19(20)21)10-2-1-7-18-15(10)13/h1-8H
InChIKey
FGKAJKTWNXTNCM-UHFFFAOYSA-N
Compound name
8-(2,5-dichlorophenoxy)-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.9912 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99848 170.8
[M+Na]+ 356.98042 180.2
[M-H]- 332.98392 176.3
[M+NH4]+ 352.02502 184.4
[M+K]+ 372.95436 170.3
[M+H-H2O]+ 316.98846 167.8
[M+HCOO]- 378.98940 184.3
[M+CH3COO]- 393.00505 201.7
[M+Na-2H]- 354.96587 178.1
[M]+ 333.99065 174.7
[M]- 333.99175 174.7
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.