CID 15276

1562-93-2

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)

InChIKey

CSPTZWQFHBVOLO-UHFFFAOYSA-N

Compound name

4-phenyldiazenylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 617
Patents: 226.07423 Da
Monoisotopic Mass: 3.6
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]+	227.08151	149.4
[M+Na]+	249.06345	162.8
[M+NH4]+	244.10805	157.8
[M+K]+	265.03739	155.6
[M-H]-	225.06695	154.9
[M+Na-2H]-	247.04890	159.7
[M]+	226.07368	152.8
[M]-	226.07478	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe