CID 2393576

2-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]acetic acid

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)O)Cl)Cl
InChI
InChI=1S/C12H9Cl2NO3/c1-6-2-3-7-8(13)4-9(14)12(11(7)15-6)18-5-10(16)17/h2-4H,5H2,1H3,(H,16,17)
InChIKey
UBPPSOBNDLDLMY-UHFFFAOYSA-N
Compound name
2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.99594 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00322 154.1
[M+Na]+ 307.98516 165.8
[M-H]- 283.98866 156.2
[M+NH4]+ 303.02976 171.0
[M+K]+ 323.95910 160.2
[M+H-H2O]+ 267.99320 149.3
[M+HCOO]- 329.99414 165.0
[M+CH3COO]- 344.00979 197.0
[M+Na-2H]- 305.97061 158.6
[M]+ 284.99539 160.4
[M]- 284.99649 160.4
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

No patent data available for this compound.