CID 106276

67969-94-2

Structural Information

Molecular Formula
C20H13N4O6S2
SMILES
C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O
InChI
InChI=1S/C20H12N4O6S2/c21-22-17-8-9-18(14-5-2-1-4-13(14)17)24-23-12-10-16-15(20(11-12)32(28,29)30)6-3-7-19(16)31(25,26)27/h1-11H,(H-,25,26,27,28,29,30)/p+1
InChIKey
HFFCSJWIBQAHDV-UHFFFAOYSA-O
Compound name
4-[(4,8-disulfonaphthalen-2-yl)diazenyl]naphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

469.02765 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.03493 228.8
[M+Na]+ 492.01687 239.1
[M-H]- 468.02037 236.2
[M+NH4]+ 487.06147 236.6
[M+K]+ 507.99081 227.8
[M+H-H2O]+ 452.02491 216.1
[M+HCOO]- 514.02585 239.3
[M+CH3COO]- 528.04150 236.5
[M+Na-2H]- 490.00232 239.3
[M]+ 469.02710 228.4
[M]- 469.02820 228.4
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.