CID 19066063

Methyl 4-chloroquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
COC(=O)C1=NC2=CC=CC=C2C(=C1)Cl
InChI
InChI=1S/C11H8ClNO2/c1-15-11(14)10-6-8(12)7-4-2-3-5-9(7)13-10/h2-6H,1H3
InChIKey
AAHYMHHQOLSODU-UHFFFAOYSA-N
Compound name
methyl 4-chloroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 142.7
[M+Na]+ 244.01357 158.5
[M+NH4]+ 239.05817 151.9
[M+K]+ 259.98751 150.9
[M-H]- 220.01707 145.2
[M+Na-2H]- 241.99902 150.5
[M]+ 221.02380 146.1
[M]- 221.02490 146.1
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