CID 106266

67969-89-5

Structural Information

Molecular Formula

C₈H₈N₃O₄S

SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)[N+]#N

InChI

InChI=1S/C8H7N3O4S/c1-5(12)10-6-2-3-8(16(13,14)15)7(4-6)11-9/h2-4H,1H3,(H-,10,12,13,14,15)/p+1

InChIKey

XDOGHDVYXZIPDW-UHFFFAOYSA-O

Compound name

5-acetamido-2-sulfobenzenediazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.02354 Da
Monoisotopic Mass: 0.5
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]+	243.03082	144.7
[M+Na]+	265.01276	154.9
[M+NH4]+	260.05736	148.1
[M+K]+	280.98670	148.2
[M-H]-	241.01626	139.3
[M+Na-2H]-	262.99821	147.7
[M]+	242.02299	144.2
[M]-	242.02409	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe