CID 7009419

Bis(2-bromobenzyl)amine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₃Br₂N

SMILES

C1=CC=C(C(=C1)CNCC2=CC=CC=C2Br)Br

InChI

InChI=1S/C14H13Br2N/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8,17H,9-10H2

InChIKey

LJFMBTCJNJSOJE-UHFFFAOYSA-N

Compound name

1-(2-bromophenyl)-N-[(2-bromophenyl)methyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.94147 Da
Monoisotopic Mass: 4.2
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]+	353.948746	157.5
[M+Na]+	375.930688	166.6
[M-H]-	351.934194	166.1
[M+NH4]+	370.975293	174.5
[M+K]+	391.904628	150.3
[M+H-H2O]+	335.938730	164.3
[M+HCOO]-	397.939671	174.4
[M+CH3COO]-	411.955321	213.3
[M+Na-2H]-	373.916136	164.3
[M]+	352.94092142	190.6
[M]-	352.94201858	190.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.