CID 29922229

Methyl 6-bromo-4-hydroxyquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
COC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C11H8BrNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChIKey
DUKAAWDFGPMTJT-UHFFFAOYSA-N
Compound name
methyl 6-bromo-4-oxo-1H-quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

280.96875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.976026 148.9
[M+Na]+ 303.957968 161.9
[M-H]- 279.961474 154.2
[M+NH4]+ 299.002573 168.0
[M+K]+ 319.931908 150.3
[M+H-H2O]+ 263.966010 148.7
[M+HCOO]- 325.966951 167.5
[M+CH3COO]- 339.982601 192.9
[M+Na-2H]- 301.943416 156.5
[M]+ 280.96820142 168.9
[M]- 280.96929858 168.9
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