CID 165671614

Methyl2-chloro-7-methoxyquinoline-4-carboxylate

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
COC1=CC2=C(C=C1)C(=CC(=N2)Cl)C(=O)OC
InChI
InChI=1S/C12H10ClNO3/c1-16-7-3-4-8-9(12(15)17-2)6-11(13)14-10(8)5-7/h3-6H,1-2H3
InChIKey
KKORBMOVLGYDQZ-UHFFFAOYSA-N
Compound name
methyl 2-chloro-7-methoxyquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 150.1
[M+Na]+ 274.02415 165.5
[M+NH4]+ 269.06875 158.5
[M+K]+ 289.99809 158.5
[M-H]- 250.02765 152.1
[M+Na-2H]- 272.00960 156.9
[M]+ 251.03438 153.2
[M]- 251.03548 153.2
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

No patent data available for this compound.