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]+ 269.97603 147.9
[M+Na]+ 291.95797 150.3
[M+NH4]+ 287.00257 151.5
[M+K]+ 307.93191 151.5
[M-H]- 267.96147 146.7
[M+Na-2H]- 289.94342 148.8
[M]+ 268.96820 146.5
[M]- 268.96930 146.5
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.