CID 226888

7-chloro-4-ethoxyquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CCOC1=C2C=CC(=CC2=NC=C1)Cl
InChI
InChI=1S/C11H10ClNO/c1-2-14-11-5-6-13-10-7-8(12)3-4-9(10)11/h3-7H,2H2,1H3
InChIKey
LGEBVUWMJYPPSK-UHFFFAOYSA-N
Compound name
7-chloro-4-ethoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

207.04509 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 140.5
[M+Na]+ 230.034308 151.2
[M-H]- 206.037814 143.9
[M+NH4]+ 225.078913 160.5
[M+K]+ 246.008248 146.6
[M+H-H2O]+ 190.042350 134.4
[M+HCOO]- 252.043291 158.6
[M+CH3COO]- 266.058941 185.5
[M+Na-2H]- 228.019756 149.1
[M]+ 207.04454142 144.6
[M]- 207.04563858 144.6
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