CID 5202936

Methyl 2-chloroquinoline-4-carboxylate

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
COC(=O)C1=CC(=NC2=CC=CC=C21)Cl
InChI
InChI=1S/C11H8ClNO2/c1-15-11(14)8-6-10(12)13-9-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey
TZKVCCWVZWZXKK-UHFFFAOYSA-N
Compound name
methyl 2-chloroquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

78
Patents

221.02435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 142.4
[M+Na]+ 244.01357 153.1
[M-H]- 220.01707 146.0
[M+NH4]+ 239.05817 161.7
[M+K]+ 259.98751 148.9
[M+H-H2O]+ 204.02161 136.4
[M+HCOO]- 266.02255 160.0
[M+CH3COO]- 280.03820 186.9
[M+Na-2H]- 241.99902 149.9
[M]+ 221.02380 146.6
[M]- 221.02490 146.6
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