CID 17226

4-(para-chlorophenylazo)-n,n-dimethylaniline

Structural Information

Molecular Formula

C₁₄H₁₄ClN₃

SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3

InChIKey

WQWHNMIYCHFRJK-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 16
Patents: 259.08762 Da
Monoisotopic Mass: 5.2
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]+	260.09490	159.1
[M+Na]+	282.07684	167.2
[M-H]-	258.08034	169.8
[M+NH4]+	277.12144	177.9
[M+K]+	298.05078	163.8
[M+H-H2O]+	242.08488	150.9
[M+HCOO]-	304.08582	185.5
[M+CH3COO]-	318.10147	209.8
[M+Na-2H]-	280.06229	166.2
[M]+	259.08707	163.3
[M]-	259.08817	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe