CID 350040

(4-bromophenyl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂BrN

SMILES

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

InChI

InChI=1S/C13H12BrN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2

InChIKey

CUGXLVXNFZFUFF-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 261.01532 Da
Monoisotopic Mass: 3.2
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]+	262.022596	152.2
[M+Na]+	284.004538	161.8
[M-H]-	260.008044	160.6
[M+NH4]+	279.049143	171.7
[M+K]+	299.978478	149.6
[M+H-H2O]+	244.012580	151.1
[M+HCOO]-	306.013521	173.6
[M+CH3COO]-	320.029171	194.9
[M+Na-2H]-	281.989986	158.8
[M]+	261.01477142	167.7
[M]-	261.01586858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe