CID 119030466

4-chloro-3-nitro-8-(propan-2-yl)quinoline

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CC(C)C1=CC=CC2=C(C(=CN=C21)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H11ClN2O2/c1-7(2)8-4-3-5-9-11(13)10(15(16)17)6-14-12(8)9/h3-7H,1-2H3
InChIKey
DTUFBJPKPDFBQX-UHFFFAOYSA-N
Compound name
4-chloro-3-nitro-8-propan-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0509 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.058176 151.7
[M+Na]+ 273.040118 160.6
[M-H]- 249.043624 155.0
[M+NH4]+ 268.084723 168.9
[M+K]+ 289.014058 152.4
[M+H-H2O]+ 233.048160 150.3
[M+HCOO]- 295.049101 169.3
[M+CH3COO]- 309.064751 189.8
[M+Na-2H]- 271.025566 158.7
[M]+ 250.05035142 153.4
[M]- 250.05144858 153.4
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.