CID 22607215

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

Structural Information

Molecular Formula
C10H6BrNO3
SMILES
C1=CC2=NC=C(C(=C2C=C1Br)C(=O)O)O
InChI
InChI=1S/C10H6BrNO3/c11-5-1-2-7-6(3-5)9(10(14)15)8(13)4-12-7/h1-4,13H,(H,14,15)
InChIKey
PHFJIUZKWPELKO-UHFFFAOYSA-N
Compound name
6-bromo-3-hydroxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

266.95312 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96040 146.2
[M+Na]+ 289.94234 158.7
[M-H]- 265.94584 150.2
[M+NH4]+ 284.98694 165.0
[M+K]+ 305.91628 147.0
[M+H-H2O]+ 249.95038 146.1
[M+HCOO]- 311.95132 163.4
[M+CH3COO]- 325.96697 189.2
[M+Na-2H]- 287.92779 153.7
[M]+ 266.95257 164.7
[M]- 266.95367 164.7
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