CID 11315

573-89-7

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₄S

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O

InChI

InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)

InChIKey

RDUJRVXKAIVTDH-UHFFFAOYSA-N

Compound name

4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 485
References: 20344
Patents: 328.0518 Da
Monoisotopic Mass: 2.9
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]+	329.05908	170.8
[M+Na]+	351.04102	184.0
[M+NH4]+	346.08562	178.3
[M+K]+	367.01496	175.7
[M-H]-	327.04452	175.4
[M+Na-2H]-	349.02647	179.6
[M]+	328.05125	174.4
[M]-	328.05235	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe