CID 151267966

3-bromo-4-chloroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H5BrClNO2
SMILES
C1=CC=C2C(=C1)C(=C(C(=N2)C(=O)O)Br)Cl
InChI
InChI=1S/C10H5BrClNO2/c11-7-8(12)5-3-1-2-4-6(5)13-9(7)10(14)15/h1-4H,(H,14,15)
InChIKey
NVSZUIHKVNUWFV-UHFFFAOYSA-N
Compound name
3-bromo-4-chloroquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.91922 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.92650 146.8
[M+Na]+ 307.90844 161.0
[M-H]- 283.91194 152.1
[M+NH4]+ 302.95304 166.7
[M+K]+ 323.88238 147.9
[M+H-H2O]+ 267.91648 147.7
[M+HCOO]- 329.91742 161.0
[M+CH3COO]- 343.93307 193.0
[M+Na-2H]- 305.89389 154.6
[M]+ 284.91867 167.8
[M]- 284.91977 167.8
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