CID 14552758

104278-48-0

Structural Information

Molecular Formula

C₁₃H₁₂BrNO

SMILES

C1CNCC2=C1OC(=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H12BrNO/c14-11-3-1-9(2-4-11)13-7-10-8-15-6-5-12(10)16-13/h1-4,7,15H,5-6,8H2

InChIKey

IHTFBATWBOWMCE-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 277.01022 Da
Monoisotopic Mass: 2.8
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]+	278.017496	157.5
[M+Na]+	299.999438	168.2
[M-H]-	276.002944	165.4
[M+NH4]+	295.044043	176.7
[M+K]+	315.973378	157.2
[M+H-H2O]+	260.007480	157.3
[M+HCOO]-	322.008421	174.3
[M+CH3COO]-	336.024071	171.2
[M+Na-2H]-	297.984886	163.7
[M]+	277.00967142	173.3
[M]-	277.01076858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe