CID 17501

2918-83-4

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₄S

SMILES

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

InChI

InChI=1S/C12H10N2O4S/c15-11-5-1-9(2-6-11)13-14-10-3-7-12(8-4-10)19(16,17)18/h1-8,15H,(H,16,17,18)

InChIKey

CNYMBHPFLJWLJW-UHFFFAOYSA-N

Compound name

4-[(4-hydroxyphenyl)diazenyl]benzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 53
Patents: 278.03613 Da
Monoisotopic Mass: 2.1
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]+	279.043406	157.7
[M+Na]+	301.025348	166.1
[M-H]-	277.028854	165.1
[M+NH4]+	296.069953	173.3
[M+K]+	316.999288	162.3
[M+H-H2O]+	261.033390	150.1
[M+HCOO]-	323.034331	179.3
[M+CH3COO]-	337.049981	197.8
[M+Na-2H]-	299.010796	164.5
[M]+	278.03558142	160.4
[M]-	278.03667858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe