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 206.9
[M+Na]+ 570.90688 210.4
[M-H]- 546.91038 207.4
[M+NH4]+ 565.95148 210.3
[M+K]+ 586.88082 207.4
[M+H-H2O]+ 530.91492 198.7
[M+HCOO]- 592.91586 212.7
[M+CH3COO]- 606.93151 231.6
[M+Na-2H]- 568.89233 214.1
[M]+ 547.91711 212.3
[M]- 547.91821 212.3
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.