CID 138040040

2247103-56-4

Structural Information

Molecular Formula
C12H10ClNO4
SMILES
COC1=CC=CC2=C1NC(=O)C(=C2Cl)C(=O)OC
InChI
InChI=1S/C12H10ClNO4/c1-17-7-5-3-4-6-9(13)8(12(16)18-2)11(15)14-10(6)7/h3-5H,1-2H3,(H,14,15)
InChIKey
IAEKVTWLAMEILE-UHFFFAOYSA-N
Compound name
methyl 4-chloro-8-methoxy-2-oxo-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02985 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03713 151.6
[M+Na]+ 290.01907 163.2
[M-H]- 266.02257 154.5
[M+NH4]+ 285.06367 168.7
[M+K]+ 305.99301 158.8
[M+H-H2O]+ 250.02711 145.9
[M+HCOO]- 312.02805 167.9
[M+CH3COO]- 326.04370 193.4
[M+Na-2H]- 288.00452 156.8
[M]+ 267.02930 157.4
[M]- 267.03040 157.4
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.