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]+ 286.003216 154.1
[M+Na]+ 307.985158 165.8
[M-H]- 283.988664 156.2
[M+NH4]+ 303.029763 171.0
[M+K]+ 323.959098 160.2
[M+H-H2O]+ 267.993200 149.3
[M+HCOO]- 329.994141 165.0
[M+CH3COO]- 344.009791 197.0
[M+Na-2H]- 305.970606 158.6
[M]+ 284.99539142 160.4
[M]- 284.99648858 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.