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

72
Patents

237.01927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 145.5
[M+Na]+ 260.00849 160.7
[M+NH4]+ 255.05309 153.5
[M+K]+ 275.98243 154.0
[M-H]- 236.01199 146.8
[M+Na-2H]- 257.99394 151.9
[M]+ 237.01872 148.3
[M]- 237.01982 148.3
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