CID 80158

Mordant yellow 10

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₆S

SMILES

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

InChI

InChI=1S/C13H10N2O6S/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21/h1-7,16H,(H,17,18)(H,19,20,21)

InChIKey

MXCDRFGKHNFKIP-UHFFFAOYSA-N

Compound name

2-hydroxy-5-[(4-sulfophenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 703
Patents: 322.02597 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]+	323.03325	166.9
[M+Na]+	345.01519	174.3
[M-H]-	321.01869	172.9
[M+NH4]+	340.05979	179.7
[M+K]+	360.98913	171.0
[M+H-H2O]+	305.02323	159.2
[M+HCOO]-	367.02417	186.0
[M+CH3COO]-	381.03982	204.6
[M+Na-2H]-	343.00064	171.7
[M]+	322.02542	170.0
[M]-	322.02652	170.0

Literature stripe

literature stripe

Patent stripe

patents stripe