CID 15622586

Schembl9654351

Structural Information

Molecular Formula

C₁₃H₁₂BrN

SMILES

CNC1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

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

InChIKey

WLIYEANDXDNXHV-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 261.01532 Da
Monoisotopic Mass: 5.0
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	150.2
[M+Na]+	284.00454	161.0
[M-H]-	260.00804	159.4
[M+NH4]+	279.04914	170.3
[M+K]+	299.97848	148.8
[M+H-H2O]+	244.01258	149.2
[M+HCOO]-	306.01352	173.2
[M+CH3COO]-	320.02917	195.7
[M+Na-2H]-	281.98999	158.4
[M]+	261.01477	167.6
[M]-	261.01587	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe