CID 18414308

8-bromoquinoline-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
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 143.1
[M+Na]+ 273.94741 155.5
[M-H]- 249.95091 148.1
[M+NH4]+ 268.99201 163.1
[M+K]+ 289.92135 144.1
[M+H-H2O]+ 233.95545 143.1
[M+HCOO]- 295.95639 161.7
[M+CH3COO]- 309.97204 188.3
[M+Na-2H]- 271.93286 151.8
[M]+ 250.95764 161.7
[M]- 250.95874 161.7
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

patents stripe