CID 28456997

4-bromo-n-(thiophen-3-ylmethyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₀BrNS

SMILES

C1=CC(=CC=C1NCC2=CSC=C2)Br

InChI

InChI=1S/C11H10BrNS/c12-10-1-3-11(4-2-10)13-7-9-5-6-14-8-9/h1-6,8,13H,7H2

InChIKey

PZPUAUJYQPZISQ-UHFFFAOYSA-N

Compound name

4-bromo-N-(thiophen-3-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 266.97174 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]+	267.97902	143.0
[M+Na]+	289.96096	146.6
[M+NH4]+	285.00556	149.6
[M+K]+	305.93490	145.0
[M-H]-	265.96446	146.6
[M+Na-2H]-	287.94641	148.9
[M]+	266.97119	143.8
[M]-	266.97229	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe