CID 514898

102830-63-7

Structural Information

Molecular Formula

C₁₄H₁₂BrNO

SMILES

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

InChI

InChI=1S/C14H12BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2

InChIKey

QCSIYCMIYWCGDO-UHFFFAOYSA-N

Compound name

6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 289.01022 Da
Monoisotopic Mass: 3.8
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]+	290.01750	158.0
[M+Na]+	311.99944	168.5
[M-H]-	288.00294	166.8
[M+NH4]+	307.04404	175.5
[M+K]+	327.97338	158.1
[M+H-H2O]+	272.00748	156.6
[M+HCOO]-	334.00842	175.0
[M+CH3COO]-	348.02407	171.7
[M+Na-2H]-	309.98489	166.8
[M]+	289.00967	175.0
[M]-	289.01077	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe