CID 280615

7-bromo-6-methoxy-2-methyl-5,8-quinolinedione

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Br)OC
InChI
InChI=1S/C11H8BrNO3/c1-5-3-4-6-8(13-5)10(15)7(12)11(16-2)9(6)14/h3-4H,1-2H3
InChIKey
XEGBXQGPUKNRNM-UHFFFAOYSA-N
Compound name
7-bromo-6-methoxy-2-methylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

280.96875 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.976026 147.9
[M+Na]+ 303.957968 162.3
[M-H]- 279.961474 154.7
[M+NH4]+ 299.002573 168.1
[M+K]+ 319.931908 151.3
[M+H-H2O]+ 263.966010 147.6
[M+HCOO]- 325.966951 167.4
[M+CH3COO]- 339.982601 197.6
[M+Na-2H]- 301.943416 154.9
[M]+ 280.96820142 169.6
[M]- 280.96929858 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe