CID 3014417

6054-80-4

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₄S

SMILES

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

InChI

InChI=1S/C12H12N4O4S/c13-7-1-3-10(9(14)5-7)15-16-11-6-8(21(18,19)20)2-4-12(11)17/h1-6,17H,13-14H2,(H,18,19,20)

InChIKey

HINBYJWOYICUDB-UHFFFAOYSA-N

Compound name

3-[(2,4-diaminophenyl)diazenyl]-4-hydroxybenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 308.05792 Da
Monoisotopic Mass: 0.7
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]+	309.065196	164.8
[M+Na]+	331.047138	172.7
[M-H]-	307.050644	171.3
[M+NH4]+	326.091743	178.2
[M+K]+	347.021078	168.4
[M+H-H2O]+	291.055180	156.5
[M+HCOO]-	353.056121	186.6
[M+CH3COO]-	367.071771	210.4
[M+Na-2H]-	329.032586	169.5
[M]+	308.05737142	164.7
[M]-	308.05846858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe