CID 68632345

Ethyl 7-chloroquinoline-6-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₂

SMILES

CCOC(=O)C1=C(C=C2C(=C1)C=CC=N2)Cl

InChI

InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-6-8-4-3-5-14-11(8)7-10(9)13/h3-7H,2H2,1H3

InChIKey

TXHJCQRFVDYGBL-UHFFFAOYSA-N

Compound name

ethyl 7-chloroquinoline-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 235.04001 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe