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 147.7
[M+Na]+ 271.02447 158.2
[M-H]- 247.02797 154.4
[M+NH4]+ 266.06907 160.0
[M+K]+ 286.99841 148.7
[M+H-H2O]+ 231.03251 145.3
[M+HCOO]- 293.03345 166.7
[M+CH3COO]- 307.04910 190.7
[M+Na-2H]- 269.00992 156.1
[M]+ 248.03470 150.6
[M]- 248.03580 150.6
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.