CID 4306835

6-bromo-8-fluoro-4-hydroxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H5BrFNO3
SMILES
C1=C(C=C(C2=C1C(=O)C(=CN2)C(=O)O)F)Br
InChI
InChI=1S/C10H5BrFNO3/c11-4-1-5-8(7(12)2-4)13-3-6(9(5)14)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey
JQJQQEWGNXPSQV-UHFFFAOYSA-N
Compound name
6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.9437 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.95098 148.6
[M+Na]+ 307.93292 162.3
[M-H]- 283.93642 151.7
[M+NH4]+ 302.97752 166.9
[M+K]+ 323.90686 149.6
[M+H-H2O]+ 267.94096 147.9
[M+HCOO]- 329.94190 164.9
[M+CH3COO]- 343.95755 192.2
[M+Na-2H]- 305.91837 154.8
[M]+ 284.94315 165.8
[M]- 284.94425 165.8
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.