CID 268963

Ethyl 4-chloroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H10ClNO2
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2N=C1)Cl
InChI
InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,2H2,1H3
InChIKey
DWXQUAHMZWZXHP-UHFFFAOYSA-N
Compound name
ethyl 4-chloroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

235.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.047286 147.2
[M+Na]+ 258.029228 157.4
[M-H]- 234.032734 150.6
[M+NH4]+ 253.073833 165.9
[M+K]+ 274.003168 153.0
[M+H-H2O]+ 218.037270 140.9
[M+HCOO]- 280.038211 164.4
[M+CH3COO]- 294.053861 189.9
[M+Na-2H]- 256.014676 154.1
[M]+ 235.03946142 151.8
[M]- 235.04055858 151.8
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