CID 11035

2050-34-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₅S

SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)S(=O)(=O)O

InChI

InChI=1S/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)

InChIKey

MHKGJUOEEHNBLE-UHFFFAOYSA-N

Compound name

4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 6075
Patents: 294.03104 Da
Monoisotopic Mass: 1.7
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]+	295.03832	162.1
[M+Na]+	317.02026	173.1
[M+NH4]+	312.06486	167.9
[M+K]+	332.99420	167.1
[M-H]-	293.02376	164.6
[M+Na-2H]-	315.00571	169.1
[M]+	294.03049	164.6
[M]-	294.03159	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe