CID 135811704

72765-61-8

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₄S

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=C3S(=O)(=O)O)O

InChI

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

InChIKey

MWPHPGPIHQZTED-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 328.0518 Da
Monoisotopic Mass: 3.3
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]+	329.059076	170.3
[M+Na]+	351.041018	179.1
[M-H]-	327.044524	178.4
[M+NH4]+	346.085623	184.9
[M+K]+	367.014958	174.4
[M+H-H2O]+	311.049060	162.4
[M+HCOO]-	373.050001	190.3
[M+CH3COO]-	387.065651	209.0
[M+Na-2H]-	349.026466	178.3
[M]+	328.05125142	173.8
[M]-	328.05234858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe