CID 102614074

4-chloro-8-methoxy-5-methyl-3-nitroquinoline

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CC1=C2C(=C(C=C1)OC)N=CC(=C2Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H9ClN2O3/c1-6-3-4-8(17-2)11-9(6)10(12)7(5-13-11)14(15)16/h3-5H,1-2H3
InChIKey
INGOPGFZUUWOMQ-UHFFFAOYSA-N
Compound name
4-chloro-8-methoxy-5-methyl-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 150.5
[M+Na]+ 275.019388 160.9
[M-H]- 251.022894 154.3
[M+NH4]+ 270.063993 167.9
[M+K]+ 290.993328 153.0
[M+H-H2O]+ 235.027430 149.1
[M+HCOO]- 297.028371 169.5
[M+CH3COO]- 311.044021 189.3
[M+Na-2H]- 273.004836 158.7
[M]+ 252.02962142 154.2
[M]- 252.03071858 154.2
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.