CID 68217

Arsenazo i

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)[As](=O)(O)O
InChI
InChI=1S/C16H13AsN2O11S2/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30)
InChIKey
NJZWLEZSGOTSHR-UHFFFAOYSA-N
Compound name
3-[(2-arsonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

163
Patents

547.91766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.92494 209.6
[M+Na]+ 570.90688 215.5
[M+NH4]+ 565.95148 209.8
[M+K]+ 586.88082 212.9
[M-H]- 546.91038 206.8
[M+Na-2H]- 568.89233 211.5
[M]+ 547.91711 209.9
[M]- 547.91821 209.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe