CID 7640

103-18-4

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)O

InChI

InChI=1S/C12H11N3O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H,13H2

InChIKey

NCKPQOUTAMSEAO-UHFFFAOYSA-N

Compound name

4-[(4-aminophenyl)diazenyl]phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 99
Patents: 213.09021 Da
Monoisotopic Mass: 3.1
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]+	214.097486	144.0
[M+Na]+	236.079428	151.6
[M-H]-	212.082934	152.2
[M+NH4]+	231.124033	162.2
[M+K]+	252.053368	148.6
[M+H-H2O]+	196.087470	136.0
[M+HCOO]-	258.088411	173.5
[M+CH3COO]-	272.104061	195.6
[M+Na-2H]-	234.064876	152.4
[M]+	213.08966142	142.6
[M]-	213.09075858	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe