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]+ 263.05818 148.2
[M+Na]+ 285.04012 155.2
[M-H]- 261.04362 153.7
[M+NH4]+ 280.08472 158.2
[M+K]+ 301.01406 149.8
[M+H-H2O]+ 245.04816 140.1
[M+HCOO]- 307.04910 164.7
[M+CH3COO]- 321.06475 193.5
[M+Na-2H]- 283.02557 155.7
[M]+ 262.05035 156.5
[M]- 262.05145 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.