CID 83663767

6-bromo-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H8BrNO3
SMILES
C1C(C2=C(C=CC(=C2)Br)NC1=O)C(=O)O
InChI
InChI=1S/C10H8BrNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-3,7H,4H2,(H,12,13)(H,14,15)
InChIKey
PWVKWQYNGPHDFR-UHFFFAOYSA-N
Compound name
6-bromo-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.96875 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.976026 148.3
[M+Na]+ 291.957968 159.2
[M-H]- 267.961474 151.6
[M+NH4]+ 287.002573 166.8
[M+K]+ 307.931908 147.3
[M+H-H2O]+ 251.966010 148.4
[M+HCOO]- 313.966951 162.9
[M+CH3COO]- 327.982601 189.1
[M+Na-2H]- 289.943416 153.9
[M]+ 268.96820142 163.5
[M]- 268.96929858 163.5
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.