CID 29923271

Methyl 4,6-dichloroquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H7Cl2NO2
SMILES
COC(=O)C1=NC2=C(C=C(C=C2)Cl)C(=C1)Cl
InChI
InChI=1S/C11H7Cl2NO2/c1-16-11(15)10-5-8(13)7-4-6(12)2-3-9(7)14-10/h2-5H,1H3
InChIKey
AHTTVCBWDAOWBI-UHFFFAOYSA-N
Compound name
methyl 4,6-dichloroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.98538 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99266 147.3
[M+Na]+ 277.97460 159.1
[M-H]- 253.97810 150.5
[M+NH4]+ 273.01920 165.9
[M+K]+ 293.94854 153.9
[M+H-H2O]+ 237.98264 142.2
[M+HCOO]- 299.98358 159.7
[M+CH3COO]- 313.99923 192.6
[M+Na-2H]- 275.96005 153.3
[M]+ 254.98483 153.0
[M]- 254.98593 153.0
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