CID 42647362

6-bromo-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
CN1C2=C(C=C(C=C2)Br)C(=CC1=O)C(=O)O
InChI
InChI=1S/C11H8BrNO3/c1-13-9-3-2-6(12)4-7(9)8(11(15)16)5-10(13)14/h2-5H,1H3,(H,15,16)
InChIKey
LCGBRNZEIRMQMS-UHFFFAOYSA-N
Compound name
6-bromo-1-methyl-2-oxoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.96875 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 148.3
[M+Na]+ 303.95797 153.0
[M+NH4]+ 299.00257 152.2
[M+K]+ 319.93191 153.6
[M-H]- 279.96147 148.0
[M+Na-2H]- 301.94342 151.0
[M]+ 280.96820 147.7
[M]- 280.96930 147.7
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.