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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03082 158.3
[M+Na]+ 265.01276 167.6
[M-H]- 241.01626 162.6
[M+NH4]+ 260.05736 173.3
[M+K]+ 280.98670 161.2
[M+H-H2O]+ 225.02080 147.9
[M+HCOO]- 287.02174 174.2
[M+CH3COO]- 301.03739 196.3
[M+Na-2H]- 262.99821 164.1
[M]+ 242.02299 154.1
[M]- 242.02409 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe