CID 15530812

4-bromoquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H6BrNO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)Br
InChI
InChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)
InChIKey
DLAHQKXVDUYPHR-UHFFFAOYSA-N
Compound name
4-bromoquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

250.95819 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.965466 143.1
[M+Na]+ 273.947408 155.5
[M-H]- 249.950914 148.1
[M+NH4]+ 268.992013 163.1
[M+K]+ 289.921348 144.1
[M+H-H2O]+ 233.955450 143.1
[M+HCOO]- 295.956391 161.7
[M+CH3COO]- 309.972041 188.3
[M+Na-2H]- 271.932856 151.8
[M]+ 250.95764142 161.7
[M]- 250.95873858 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