CID 108897

4-(2-chlorophenylazo)-2,5-dimethoxyaniline

Structural Information

Molecular Formula

C₁₄H₁₄ClN₃O₂

SMILES

COC1=CC(=C(C=C1N)OC)N=NC2=CC=CC=C2Cl

InChI

InChI=1S/C14H14ClN3O2/c1-19-13-8-12(14(20-2)7-10(13)16)18-17-11-6-4-3-5-9(11)15/h3-8H,16H2,1-2H3

InChIKey

WYFCDGYRAULRHY-UHFFFAOYSA-N

Compound name

4-[(2-chlorophenyl)diazenyl]-2,5-dimethoxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 291.07745 Da
Monoisotopic Mass: 3.6
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]+	292.084726	165.4
[M+Na]+	314.066668	175.0
[M-H]-	290.070174	175.0
[M+NH4]+	309.111273	182.5
[M+K]+	330.040608	171.2
[M+H-H2O]+	274.074710	157.5
[M+HCOO]-	336.075651	191.2
[M+CH3COO]-	350.091301	212.4
[M+Na-2H]-	312.052116	170.8
[M]+	291.07690142	170.9
[M]-	291.07799858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe