CID 74030

3-methyl-4-(phenylazo)phenol

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

CC1=C(C=CC(=C1)O)N=NC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O/c1-10-9-12(16)7-8-13(10)15-14-11-5-3-2-4-6-11/h2-9,16H,1H3

InChIKey

AXGXXLOKNNMCHP-UHFFFAOYSA-N

Compound name

3-methyl-4-phenyldiazenylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 212.09496 Da
Monoisotopic Mass: 3.7
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]+	213.102236	144.7
[M+Na]+	235.084178	152.8
[M-H]-	211.087684	153.3
[M+NH4]+	230.128783	163.6
[M+K]+	251.058118	149.8
[M+H-H2O]+	195.092220	136.9
[M+HCOO]-	257.093161	173.5
[M+CH3COO]-	271.108811	194.2
[M+Na-2H]-	233.069626	153.2
[M]+	212.09441142	145.4
[M]-	212.09550858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe