CID 345829

4-phenylazo-benzoic acid ethyl ester

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C15H14N2O2/c1-2-19-15(18)12-8-10-14(11-9-12)17-16-13-6-4-3-5-7-13/h3-11H,2H2,1H3

InChIKey

ZABJMLAHGWTODF-UHFFFAOYSA-N

Compound name

ethyl 4-phenyldiazenylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.10553 Da
Monoisotopic Mass: 4.4
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]+	255.112806	156.7
[M+Na]+	277.094748	163.2
[M-H]-	253.098254	166.0
[M+NH4]+	272.139353	174.1
[M+K]+	293.068688	161.2
[M+H-H2O]+	237.102790	147.9
[M+HCOO]-	299.103731	185.7
[M+CH3COO]-	313.119381	203.1
[M+Na-2H]-	275.080196	164.0
[M]+	254.10498142	159.5
[M]-	254.10607858	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe