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

107
Patents

553.878 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.88528 211.9
[M+Na]+ 576.86722 215.0
[M-H]- 552.87072 210.9
[M+NH4]+ 571.91182 216.6
[M+K]+ 592.84116 207.5
[M+H-H2O]+ 536.87526 202.9
[M+HCOO]- 598.87620 218.4
[M+CH3COO]- 612.89185 221.0
[M+Na-2H]- 574.85267 214.3
[M]+ 553.87745 213.2
[M]- 553.87855 213.2
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.