CID 22646520

205448-66-4

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
COC1=CC2=NC=CC(=C2C=C1C(=O)OC)Cl
InChI
InChI=1S/C12H10ClNO3/c1-16-11-6-10-7(9(13)3-4-14-10)5-8(11)12(15)17-2/h3-6H,1-2H3
InChIKey
DDDSGYZATMCUDW-UHFFFAOYSA-N
Compound name
methyl 4-chloro-7-methoxyquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

251.03493 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 149.6
[M+Na]+ 274.02415 160.7
[M-H]- 250.02765 153.5
[M+NH4]+ 269.06875 168.0
[M+K]+ 289.99809 157.0
[M+H-H2O]+ 234.03219 143.5
[M+HCOO]- 296.03313 167.1
[M+CH3COO]- 310.04878 193.1
[M+Na-2H]- 272.00960 155.9
[M]+ 251.03438 156.1
[M]- 251.03548 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe