CID 103065

65036-53-5

Structural Information

Molecular Formula
C13H11N4O4S
SMILES
COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)[N+]#N
InChI
InChI=1S/C13H10N4O4S/c1-21-13-8-10(5-6-12(13)15-14)17-16-9-3-2-4-11(7-9)22(18,19)20/h2-8H,1H3/p+1
InChIKey
YBZSIRZPSPQSNQ-UHFFFAOYSA-O
Compound name
2-methoxy-4-[(3-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 166.4
[M+Na]+ 342.03932 178.7
[M+NH4]+ 337.08392 170.4
[M+K]+ 358.01326 169.5
[M-H]- 318.04282 164.7
[M+Na-2H]- 340.02477 172.7
[M]+ 319.04955 167.4
[M]- 319.05065 167.4
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.