CID 22646567

4-chloro-6,7-dimethoxy-3-nitroquinoline

Structural Information

Molecular Formula
C11H9ClN2O4
SMILES
COC1=C(C=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C11H9ClN2O4/c1-17-9-3-6-7(4-10(9)18-2)13-5-8(11(6)12)14(15)16/h3-5H,1-2H3
InChIKey
FJYMQJYFQAGVFY-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dimethoxy-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

268.0251 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03238 151.6
[M+Na]+ 291.01432 167.8
[M+NH4]+ 286.05892 159.9
[M+K]+ 306.98826 163.4
[M-H]- 267.01782 155.0
[M+Na-2H]- 288.99977 158.1
[M]+ 268.02455 155.2
[M]- 268.02565 155.2
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

patents stripe