CID 97036795

8-bromo-7-fluoroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H5BrFNO2
SMILES
C1=CC(=C(C2=C1C=CC(=N2)C(=O)O)Br)F
InChI
InChI=1S/C10H5BrFNO2/c11-8-6(12)3-1-5-2-4-7(10(14)15)13-9(5)8/h1-4H,(H,14,15)
InChIKey
ZWEPPCYRSMPNLO-UHFFFAOYSA-N
Compound name
8-bromo-7-fluoroquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.94876 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.95604 146.8
[M+Na]+ 291.93798 160.0
[M-H]- 267.94148 150.8
[M+NH4]+ 286.98258 166.3
[M+K]+ 307.91192 148.2
[M+H-H2O]+ 251.94602 145.9
[M+HCOO]- 313.94696 164.3
[M+CH3COO]- 327.96261 191.9
[M+Na-2H]- 289.92343 154.1
[M]+ 268.94821 164.7
[M]- 268.94931 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

No patent data available for this compound.