CID 514897

102830-62-6

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

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

InChI

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

InChIKey

RDJMRYYHRVKYPL-UHFFFAOYSA-N

Compound name

6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
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]+	280.029036	158.7
[M+Na]+	302.010978	168.6
[M-H]-	278.014484	164.4
[M+NH4]+	297.055583	174.4
[M+K]+	317.984918	163.1
[M+H-H2O]+	262.019020	151.4
[M+HCOO]-	324.019961	168.0
[M+CH3COO]-	338.035611	170.4
[M+Na-2H]-	299.996426	164.8
[M]+	279.02121142	160.7
[M]-	279.02230858	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe