CID 13297

Sudan i

Structural Information

Molecular Formula

C₁₆H₁₂N₂O

SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C16H12N2O/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13/h1-11,19H

InChIKey

MRQIXHXHHPWVIL-UHFFFAOYSA-N

Compound name

1-phenyldiazenylnaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 184
References: 5889
Patents: 248.09496 Da
Monoisotopic Mass: 4.1
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]+	249.10224	152.7
[M+Na]+	271.08418	160.8
[M-H]-	247.08768	161.9
[M+NH4]+	266.12878	170.9
[M+K]+	287.05812	156.4
[M+H-H2O]+	231.09222	144.2
[M+HCOO]-	293.09316	180.2
[M+CH3COO]-	307.10881	166.0
[M+Na-2H]-	269.06963	162.9
[M]+	248.09441	153.1
[M]-	248.09551	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe