CID 128207

102830-64-8

Structural Information

Molecular Formula

C₁₄H₁₀BrCl₂NO

SMILES

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

InChI

InChI=1S/C14H10BrCl2NO/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

KPNRIVBFNMVMSS-UHFFFAOYSA-N

Compound name

6-bromo-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: 5
Patents: 356.93228 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]+	357.93956	168.0
[M+Na]+	379.92150	181.7
[M-H]-	355.92500	176.4
[M+NH4]+	374.96610	184.8
[M+K]+	395.89544	168.6
[M+H-H2O]+	339.92954	167.7
[M+HCOO]-	401.93048	175.6
[M+CH3COO]-	415.94613	181.3
[M+Na-2H]-	377.90695	174.4
[M]+	356.93173	188.7
[M]-	356.93283	188.7

Literature stripe

literature stripe

Patent stripe

patents stripe