CID 224249

(2-iodophenyl)arsonic acid

Structural Information

Molecular Formula
C6H6AsIO3
SMILES
C1=CC=C(C(=C1)[As](=O)(O)O)I
InChI
InChI=1S/C6H6AsIO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,(H2,9,10,11)
InChIKey
ZRSKWNUMRKQXLB-UHFFFAOYSA-N
Compound name
(2-iodophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

327.85776 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.865036 154.1
[M+Na]+ 350.846978 155.0
[M-H]- 326.850484 148.1
[M+NH4]+ 345.891583 168.0
[M+K]+ 366.820918 158.4
[M+H-H2O]+ 310.855020 145.1
[M+HCOO]- 372.855961 169.4
[M+CH3COO]- 386.871611 180.9
[M+Na-2H]- 348.832426 147.9
[M]+ 327.85721142 150.4
[M]- 327.85830858 150.4
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

patents stripe