CID 273419

Methyl 4-(phenylazo)benzoate

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

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

InChI

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

InChIKey

SUFXZYCPKGRJIZ-UHFFFAOYSA-N

Compound name

methyl 4-phenyldiazenylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 47
Patents: 240.08987 Da
Monoisotopic Mass: 3.9
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	152.1
[M+Na]+	263.079088	159.0
[M-H]-	239.082594	161.6
[M+NH4]+	258.123693	170.0
[M+K]+	279.053028	157.3
[M+H-H2O]+	223.087130	143.4
[M+HCOO]-	285.088071	181.4
[M+CH3COO]-	299.103721	200.0
[M+Na-2H]-	261.064536	159.9
[M]+	240.08932142	154.5
[M]-	240.09041858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe