CID 80741

P-(1-naphthylazo)phenol

Structural Information

Molecular Formula

C₁₆H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC=C2N=NC3=CC=C(C=C3)O

InChI

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

InChIKey

PBUOCZDBWLIYDD-UHFFFAOYSA-N

Compound name

4-(naphthalen-1-yldiazenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 248.09496 Da
Monoisotopic Mass: 4.6
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]+	249.102236	152.7
[M+Na]+	271.084178	160.8
[M-H]-	247.087684	161.9
[M+NH4]+	266.128783	170.9
[M+K]+	287.058118	156.4
[M+H-H2O]+	231.092220	144.2
[M+HCOO]-	293.093161	180.2
[M+CH3COO]-	307.108811	166.0
[M+Na-2H]-	269.069626	162.9
[M]+	248.09441142	153.1
[M]-	248.09550858	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe