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

3
Patents

327.85776 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.86504 154.1
[M+Na]+ 350.84698 155.0
[M-H]- 326.85048 148.1
[M+NH4]+ 345.89158 168.0
[M+K]+ 366.82092 158.4
[M+H-H2O]+ 310.85502 145.1
[M+HCOO]- 372.85596 169.4
[M+CH3COO]- 386.87161 180.9
[M+Na-2H]- 348.83243 147.9
[M]+ 327.85721 150.4
[M]- 327.85831 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