CID 136574235

Methyl 5,7-dichloroquinoline-6-carboxylate

Structural Information

Molecular Formula
C11H7Cl2NO2
SMILES
COC(=O)C1=C(C=C2C(=C1Cl)C=CC=N2)Cl
InChI
InChI=1S/C11H7Cl2NO2/c1-16-11(15)9-7(12)5-8-6(10(9)13)3-2-4-14-8/h2-5H,1H3
InChIKey
TVYITUDUXCTYEZ-UHFFFAOYSA-N
Compound name
methyl 5,7-dichloroquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98538 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99266 148.3
[M+Na]+ 277.97460 164.9
[M+NH4]+ 273.01920 157.5
[M+K]+ 293.94854 156.8
[M-H]- 253.97810 150.6
[M+Na-2H]- 275.96005 155.8
[M]+ 254.98483 152.1
[M]- 254.98593 152.1
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.