CID 68784510

2-(6-bromo-2-oxoquinolin-1(2h)-yl)acetic acid

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
C1=CC2=C(C=CC(=O)N2CC(=O)O)C=C1Br
InChI
InChI=1S/C11H8BrNO3/c12-8-2-3-9-7(5-8)1-4-10(14)13(9)6-11(15)16/h1-5H,6H2,(H,15,16)
InChIKey
TYEXSYVRRCFDTK-UHFFFAOYSA-N
Compound name
2-(6-bromo-2-oxoquinolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

280.96875 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 148.7
[M+Na]+ 303.95797 161.6
[M-H]- 279.96147 153.9
[M+NH4]+ 299.00257 167.7
[M+K]+ 319.93191 150.0
[M+H-H2O]+ 263.96601 148.4
[M+HCOO]- 325.96695 167.2
[M+CH3COO]- 339.98260 193.6
[M+Na-2H]- 301.94342 156.3
[M]+ 280.96820 168.7
[M]- 280.96930 168.7
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

patents stripe