CID 44571

Brofaromine

Structural Information

Molecular Formula

C₁₄H₁₆BrNO₂

SMILES

COC1=CC(=C2C(=C1)C=C(O2)C3CCNCC3)Br

InChI

InChI=1S/C14H16BrNO2/c1-17-11-6-10-7-13(9-2-4-16-5-3-9)18-14(10)12(15)8-11/h6-9,16H,2-5H2,1H3

InChIKey

WZXHSWVDAYOFPE-UHFFFAOYSA-N

Compound name

4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 140
References: 3278
Patents: 309.03644 Da
Monoisotopic Mass: 3.1
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]+	310.04372	165.1
[M+Na]+	332.02566	169.1
[M+NH4]+	327.07026	170.2
[M+K]+	347.99960	169.6
[M-H]-	308.02916	168.1
[M+Na-2H]-	330.01111	167.5
[M]+	309.03589	165.4
[M]-	309.03699	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe