CID 514904

102830-72-8

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

C1CC2=C(N=CC=C2)OC1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H11Cl2NO/c15-11-5-3-10(8-12(11)16)13-6-4-9-2-1-7-17-14(9)18-13/h1-3,5,7-8,13H,4,6H2

InChIKey

ZGZXPGYGYRATEU-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 279.02176 Da
Monoisotopic Mass: 4.3
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]+	280.02904	158.7
[M+Na]+	302.01098	168.6
[M-H]-	278.01448	164.4
[M+NH4]+	297.05558	174.4
[M+K]+	317.98492	163.1
[M+H-H2O]+	262.01902	151.4
[M+HCOO]-	324.01996	168.0
[M+CH3COO]-	338.03561	170.4
[M+Na-2H]-	299.99643	164.8
[M]+	279.02121	160.7
[M]-	279.02231	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe