CID 17899686

8-bromoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC2=CC(=CN=C2C(=C1)Br)C(=O)O
InChI
InChI=1S/C10H6BrNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
InChIKey
QMAXUQVGYIBBKN-UHFFFAOYSA-N
Compound name
8-bromoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

250.95819 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96547 142.0
[M+Na]+ 273.94741 146.6
[M+NH4]+ 268.99201 146.8
[M+K]+ 289.92135 146.7
[M-H]- 249.95091 142.3
[M+Na-2H]- 271.93286 145.8
[M]+ 250.95764 141.5
[M]- 250.95874 141.5
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