CID 164172

7-chloro-4-(2-nitrophenoxy)quinoline

Structural Information

Molecular Formula
C15H9ClN2O3
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C15H9ClN2O3/c16-10-5-6-11-12(9-10)17-8-7-14(11)21-15-4-2-1-3-13(15)18(19)20/h1-9H
InChIKey
JOYJQAMPUPAHDI-UHFFFAOYSA-N
Compound name
7-chloro-4-(2-nitrophenoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.03018 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03746 164.0
[M+Na]+ 323.01940 172.6
[M-H]- 299.02290 170.3
[M+NH4]+ 318.06400 178.4
[M+K]+ 338.99334 163.3
[M+H-H2O]+ 283.02744 160.2
[M+HCOO]- 345.02838 182.8
[M+CH3COO]- 359.04403 196.2
[M+Na-2H]- 321.00485 173.0
[M]+ 300.02963 166.2
[M]- 300.03073 166.2
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