CID 5043094

4'-(4-hydroxyphenylazo)acetophenone

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C14H12N2O2/c1-10(17)11-2-4-12(5-3-11)15-16-13-6-8-14(18)9-7-13/h2-9,18H,1H3

InChIKey

WSJNBEDQXYXNRE-UHFFFAOYSA-N

Compound name

1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 240.08987 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]+	241.097146	152.0
[M+Na]+	263.079088	159.4
[M-H]-	239.082594	160.5
[M+NH4]+	258.123693	169.4
[M+K]+	279.053028	156.8
[M+H-H2O]+	223.087130	143.8
[M+HCOO]-	285.088071	179.7
[M+CH3COO]-	299.103721	199.3
[M+Na-2H]-	261.064536	158.6
[M]+	240.08932142	153.0
[M]-	240.09041858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe