CID 5200373

Methyl 6-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
COC(=O)C1=CC(=O)C2=C(N1)C=CC(=C2)Cl
InChI
InChI=1S/C11H8ClNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
InChIKey
HESVUOITGSAKKR-UHFFFAOYSA-N
Compound name
methyl 6-chloro-4-oxo-1H-quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

237.01927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.026546 144.6
[M+Na]+ 260.008488 155.9
[M-H]- 236.011994 147.2
[M+NH4]+ 255.053093 162.7
[M+K]+ 275.982428 151.0
[M+H-H2O]+ 220.016530 139.1
[M+HCOO]- 282.017471 161.0
[M+CH3COO]- 296.033121 186.9
[M+Na-2H]- 257.993936 150.9
[M]+ 237.01872142 148.2
[M]- 237.01981858 148.2
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