CID 128208

102830-65-9

Structural Information

Molecular Formula

C₁₄H₁₀Cl₃NO

SMILES

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

InChI

InChI=1S/C14H10Cl3NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1,3,5-7,13H,2,4H2

InChIKey

IIHLRAYLXPTLCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 312.9828 Da
Monoisotopic Mass: 5.0
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]+	313.99008	164.9
[M+Na]+	335.97202	175.5
[M-H]-	311.97552	169.5
[M+NH4]+	331.01662	179.4
[M+K]+	351.94596	169.6
[M+H-H2O]+	295.98006	158.1
[M+HCOO]-	357.98100	168.7
[M+CH3COO]-	371.99665	175.7
[M+Na-2H]-	333.95747	169.1
[M]+	312.98225	167.5
[M]-	312.98335	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe