CID 125513342

4-chloro-6-cyclopropyl-3-nitroquinoline

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1CC1C2=CC3=C(C(=CN=C3C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H9ClN2O2/c13-12-9-5-8(7-1-2-7)3-4-10(9)14-6-11(12)15(16)17/h3-7H,1-2H2
InChIKey
BHXAMAATXDBDCX-UHFFFAOYSA-N
Compound name
4-chloro-6-cyclopropyl-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03525 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 151.7
[M+Na]+ 271.02447 169.6
[M+NH4]+ 266.06907 162.0
[M+K]+ 286.99841 165.0
[M-H]- 247.02797 164.0
[M+Na-2H]- 269.00992 162.3
[M]+ 248.03470 159.2
[M]- 248.03580 159.2
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

No patent data available for this compound.