CID 2756617

N-benzyl-1-(3-bromophenyl)methanamine

Structural Information

Molecular Formula

C₁₄H₁₄BrN

SMILES

C1=CC=C(C=C1)CNCC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H14BrN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2

InChIKey

PVXFHGJZYYWYQI-UHFFFAOYSA-N

Compound name

N-[(3-bromophenyl)methyl]-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 275.03094 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]+	276.03822	154.4
[M+Na]+	298.02016	159.6
[M+NH4]+	293.06476	160.5
[M+K]+	313.99410	156.8
[M-H]-	274.02366	158.6
[M+Na-2H]-	296.00561	161.5
[M]+	275.03039	155.3
[M]-	275.03149	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe