CID 21899253

4-bromo-n-methyl-n-phenylaniline

Structural Information

Molecular Formula

C₁₃H₁₂BrN

SMILES

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

InChI

InChI=1S/C13H12BrN/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10H,1H3

InChIKey

MKKXGDGGJNGLQP-UHFFFAOYSA-N

Compound name

4-bromo-N-methyl-N-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 261.01532 Da
Monoisotopic Mass: 4.6
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]+	262.02260	147.4
[M+Na]+	284.00454	153.0
[M+NH4]+	279.04914	153.9
[M+K]+	299.97848	151.0
[M-H]-	260.00804	151.9
[M+Na-2H]-	281.98999	155.2
[M]+	261.01477	148.5
[M]-	261.01587	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe