CID 71743000

Methyl 4-chloroquinoline-8-carboxylate

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
COC(=O)C1=CC=CC2=C(C=CN=C21)Cl
InChI
InChI=1S/C11H8ClNO2/c1-15-11(14)8-4-2-3-7-9(12)5-6-13-10(7)8/h2-6H,1H3
InChIKey
ZXZRJIYXWZTSJH-UHFFFAOYSA-N
Compound name
methyl 4-chloroquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

221.02435 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe