CID 16016

C.i. acid orange 10

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₇S₂

SMILES

C1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)

InChIKey

MPVDXIMFBOLMNW-UHFFFAOYSA-N

Compound name

7-hydroxy-8-phenyldiazenylnaphthalene-1,3-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 139
References: 14207
Patents: 408.0086 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]+	409.015876	187.2
[M+Na]+	430.997818	194.9
[M-H]-	407.001324	192.8
[M+NH4]+	426.042423	197.3
[M+K]+	446.971758	189.6
[M+H-H2O]+	391.005860	179.6
[M+HCOO]-	453.006801	199.2
[M+CH3COO]-	467.022451	218.4
[M+Na-2H]-	428.983266	195.9
[M]+	408.00805142	192.1
[M]-	408.00914858	192.1

Literature stripe

literature stripe

Patent stripe

patents stripe