CID 125513748

4-chloro-6-cyclobutyl-3-nitroquinoline

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C1CC(C1)C2=CC3=C(C(=CN=C3C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H11ClN2O2/c14-13-10-6-9(8-2-1-3-8)4-5-11(10)15-7-12(13)16(17)18/h4-8H,1-3H2
InChIKey
UOUDMVNTMBYAPZ-UHFFFAOYSA-N
Compound name
4-chloro-6-cyclobutyl-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.058176 148.2
[M+Na]+ 285.040118 155.2
[M-H]- 261.043624 153.7
[M+NH4]+ 280.084723 158.2
[M+K]+ 301.014058 149.8
[M+H-H2O]+ 245.048160 140.1
[M+HCOO]- 307.049101 164.7
[M+CH3COO]- 321.064751 193.5
[M+Na-2H]- 283.025566 155.7
[M]+ 262.05035142 156.5
[M]- 262.05144858 156.5
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.