CID 135755669

Einecs 282-454-1

Structural Information

Molecular Formula
C16H13AsN2O11S2
SMILES
C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)O[As](O)O
InChI
InChI=1S/C16H13AsN2O11S2/c20-11-7-9(31(24,25)26)5-8-6-13(32(27,28)29)15(16(21)14(8)11)19-18-10-3-1-2-4-12(10)30-17(22)23/h1-7,20-23H,(H,24,25,26)(H,27,28,29)
InChIKey
IXISLMOPMJZNSE-UHFFFAOYSA-N
Compound name
3-[(2-dihydroxyarsanyloxyphenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.91766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.92494 208.3
[M+Na]+ 570.90688 214.3
[M+NH4]+ 565.95148 208.9
[M+K]+ 586.88082 211.5
[M-H]- 546.91038 206.1
[M+Na-2H]- 568.89233 210.1
[M]+ 547.91711 208.8
[M]- 547.91821 208.8
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.