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

2
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]+	243.030816	158.3
[M+Na]+	265.012758	167.6
[M-H]-	241.016264	162.6
[M+NH4]+	260.057363	173.3
[M+K]+	280.986698	161.2
[M+H-H2O]+	225.020800	147.9
[M+HCOO]-	287.021741	174.2
[M+CH3COO]-	301.037391	196.3
[M+Na-2H]-	262.998206	164.1
[M]+	242.02299142	154.1
[M]-	242.02408858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe