CID 102614053

4-chloro-8-ethoxy-3-nitroquinoline

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CCOC1=CC=CC2=C(C(=CN=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C11H9ClN2O3/c1-2-17-9-5-3-4-7-10(12)8(14(15)16)6-13-11(7)9/h3-6H,2H2,1H3
InChIKey
BQUFHGCIBGQOQT-UHFFFAOYSA-N
Compound name
4-chloro-8-ethoxy-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 150.7
[M+Na]+ 275.01939 160.1
[M-H]- 251.02289 154.1
[M+NH4]+ 270.06399 167.8
[M+K]+ 290.99333 152.2
[M+H-H2O]+ 235.02743 149.0
[M+HCOO]- 297.02837 169.7
[M+CH3COO]- 311.04402 188.1
[M+Na-2H]- 273.00484 159.5
[M]+ 252.02962 154.0
[M]- 252.03072 154.0
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

No patent data available for this compound.