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

74
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 144.6
[M+Na]+ 260.00849 155.9
[M-H]- 236.01199 147.2
[M+NH4]+ 255.05309 162.7
[M+K]+ 275.98243 151.0
[M+H-H2O]+ 220.01653 139.1
[M+HCOO]- 282.01747 161.0
[M+CH3COO]- 296.03312 186.9
[M+Na-2H]- 257.99394 150.9
[M]+ 237.01872 148.2
[M]- 237.01982 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