CID 459204

[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]arsonic acid

Structural Information

Molecular Formula
C10H15AsO6
SMILES
C1=CC(=CC=C1OCCOCCO)[As](=O)(O)O
InChI
InChI=1S/C10H15AsO6/c12-5-6-16-7-8-17-10-3-1-9(2-4-10)11(13,14)15/h1-4,12H,5-8H2,(H2,13,14,15)
InChIKey
XKFVOYSZGNTNNI-UHFFFAOYSA-N
Compound name
[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00845 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01573 162.5
[M+Na]+ 328.99767 168.3
[M-H]- 305.00117 161.4
[M+NH4]+ 324.04227 177.1
[M+K]+ 344.97161 166.1
[M+H-H2O]+ 289.00571 156.1
[M+HCOO]- 351.00665 181.0
[M+CH3COO]- 365.02230 185.1
[M+Na-2H]- 326.98312 167.3
[M]+ 306.00790 165.3
[M]- 306.00900 165.3
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.