CID 16682839

Amoebicon

Structural Information

Molecular Formula
C8H9AsBiNO6
SMILES
C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O[Bi]=O
InChI
InChI=1S/C8H10AsNO5.Bi.O/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);;/q;+1;/p-1
InChIKey
FATAHBJTOKXSDH-UHFFFAOYSA-M
Compound name
[4-[(2-hydroxyacetyl)amino]phenyl]-oxobismuthanyloxyarsinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

256
Patents

498.94498 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.952256 197.2
[M+Na]+ 521.934198 201.6
[M-H]- 497.937704 196.2
[M+NH4]+ 516.978803 209.8
[M+K]+ 537.908138 198.9
[M+H-H2O]+ 481.942240 188.5
[M+HCOO]- 543.943181 215.7
[M+CH3COO]- 557.958831 196.3
[M+Na-2H]- 519.919646 198.2
[M]+ 498.94443142 198.6
[M]- 498.94552858 198.6
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