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]+ 267.960396 146.2
[M+Na]+ 289.942338 158.7
[M-H]- 265.945844 150.2
[M+NH4]+ 284.986943 165.0
[M+K]+ 305.916278 147.0
[M+H-H2O]+ 249.950380 146.1
[M+HCOO]- 311.951321 163.4
[M+CH3COO]- 325.966971 189.2
[M+Na-2H]- 287.927786 153.7
[M]+ 266.95257142 164.7
[M]- 266.95366858 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