CID 514907

102830-80-8

Structural Information

Molecular Formula

C₁₄H₉Cl₂NO

SMILES

C1=CC2=C(N=CC(=C2)Cl)OC1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H9Cl2NO/c15-11-4-1-9(2-5-11)13-6-3-10-7-12(16)8-17-14(10)18-13/h1-8,13H

InChIKey

OQPYITHHFVRREP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 277.00613 Da
Monoisotopic Mass: 4.5
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]+	278.01341	157.3
[M+Na]+	299.99535	168.3
[M-H]-	275.99885	163.4
[M+NH4]+	295.03995	173.1
[M+K]+	315.96929	162.5
[M+H-H2O]+	260.00339	150.0
[M+HCOO]-	322.00433	168.0
[M+CH3COO]-	336.01998	169.6
[M+Na-2H]-	297.98080	164.4
[M]+	277.00558	160.7
[M]-	277.00668	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe