CID 67540

Diazobenzenesulfonic acid

Structural Information

Molecular Formula

C₆H₅N₂O₃S

SMILES

C1=CC(=CC=C1[N+]#N)S(=O)(=O)O

InChI

InChI=1S/C6H4N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4H/p+1

InChIKey

UEUIKXVPXLWUDU-UHFFFAOYSA-O

Compound name

4-sulfobenzenediazonium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 108
References: 1939
Patents: 185.00209 Da
Monoisotopic Mass: 1.3
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]+	186.009366	143.6
[M+Na]+	207.991308	154.6
[M-H]-	183.994814	148.4
[M+NH4]+	203.035913	161.3
[M+K]+	223.965248	147.8
[M+H-H2O]+	167.999350	134.1
[M+HCOO]-	230.000291	160.2
[M+CH3COO]-	244.015941	184.3
[M+Na-2H]-	205.976756	151.3
[M]+	185.00154142	139.5
[M]-	185.00263858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe