CID 71511

Sulfarsphenamine

Structural Information

Molecular Formula
C14H16As2N2O8S2
SMILES
C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)NCS(=O)(=O)O)NCS(=O)(=O)O)O
InChI
InChI=1S/C14H16As2N2O8S2/c19-13-3-1-9(5-11(13)17-7-27(21,22)23)15-16-10-2-4-14(20)12(6-10)18-8-28(24,25)26/h1-6,17-20H,7-8H2,(H,21,22,23)(H,24,25,26)
InChIKey
WQYLXWMRFRAJBO-UHFFFAOYSA-N
Compound name
[2-hydroxy-5-[4-hydroxy-3-(sulfomethylamino)phenyl]arsanylidenearsanylanilino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

553.878 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.88528 210.9
[M+Na]+ 576.86722 216.1
[M+NH4]+ 571.91182 211.9
[M+K]+ 592.84116 210.6
[M-H]- 552.87072 208.7
[M+Na-2H]- 574.85267 211.8
[M]+ 553.87745 211.2
[M]- 553.87855 211.2
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.