CID 10317

2,4-diaminoazobenzene

Structural Information

Molecular Formula

C₁₂H₁₂N₄

SMILES

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

InChI

InChI=1S/C12H12N4/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10/h1-8H,13-14H2

InChIKey

IWRVPXDHSLTIOC-UHFFFAOYSA-N

Compound name

4-phenyldiazenylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 59
References: 4015
Patents: 212.1062 Da
Monoisotopic Mass: 2.3
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]+	213.11348	144.3
[M+Na]+	235.09542	151.6
[M-H]-	211.09892	153.3
[M+NH4]+	230.14002	162.6
[M+K]+	251.06936	148.5
[M+H-H2O]+	195.10346	135.9
[M+HCOO]-	257.10440	175.4
[M+CH3COO]-	271.12005	200.6
[M+Na-2H]-	233.08087	152.5
[M]+	212.10565	141.7
[M]-	212.10675	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe