CID 78011

4317-65-1

Structural Information

Molecular Formula
C16H12N2O8S2
SMILES
C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=C(C=C(C=C3)O)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C16H12N2O8S2/c19-10-4-5-13(14(20)8-10)18-17-9-6-12-11(16(7-9)28(24,25)26)2-1-3-15(12)27(21,22)23/h1-8,19-20H,(H,21,22,23)(H,24,25,26)
InChIKey
UFXDZIMDGJTGAG-UHFFFAOYSA-N
Compound name
3-[(2,4-dihydroxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.01078 189.8
[M+Na]+ 446.99272 199.1
[M+NH4]+ 442.03732 193.4
[M+K]+ 462.96666 193.3
[M-H]- 422.99622 190.3
[M+Na-2H]- 444.97817 194.8
[M]+ 424.00295 191.9
[M]- 424.00405 191.9
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.