CID 18475628

6-bromoquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC2=NC=CC(=C2C=C1Br)C(=O)O
InChI
InChI=1S/C10H6BrNO2/c11-6-1-2-9-8(5-6)7(10(13)14)3-4-12-9/h1-5H,(H,13,14)
InChIKey
QKZZTVSKZXPJAC-UHFFFAOYSA-N
Compound name
6-bromoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
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

literature stripe

Patent stripe

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