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]+ 251.05818 151.7
[M+Na]+ 273.04012 160.6
[M-H]- 249.04362 155.0
[M+NH4]+ 268.08472 168.9
[M+K]+ 289.01406 152.4
[M+H-H2O]+ 233.04816 150.3
[M+HCOO]- 295.04910 169.3
[M+CH3COO]- 309.06475 189.8
[M+Na-2H]- 271.02557 158.7
[M]+ 250.05035 153.4
[M]- 250.05145 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.