CID 6367261

Benzenediazonium, 2-methoxy-4-((4-sulfophenyl)azo)-, inner salt

Structural Information

Molecular Formula
C13H11N4O4S
SMILES
COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O)[N+]#N
InChI
InChI=1S/C13H10N4O4S/c1-21-13-8-10(4-7-12(13)15-14)17-16-9-2-5-11(6-3-9)22(18,19)20/h2-8H,1H3/p+1
InChIKey
HMSYVHOBWUUCCY-UHFFFAOYSA-O
Compound name
2-methoxy-4-[(4-sulfophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0501 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.05738 180.9
[M+Na]+ 342.03932 190.6
[M-H]- 318.04282 189.5
[M+NH4]+ 337.08392 193.7
[M+K]+ 358.01326 182.9
[M+H-H2O]+ 302.04736 168.0
[M+HCOO]- 364.04830 200.8
[M+CH3COO]- 378.06395 215.5
[M+Na-2H]- 340.02477 188.1
[M]+ 319.04955 179.3
[M]- 319.05065 179.3
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

No patent data available for this compound.