CID 459205

(p-arsonophenoxy)acetic acid

Structural Information

Molecular Formula
C8H9AsO6
SMILES
C1=CC(=CC=C1OCC(=O)O)[As](=O)(O)O
InChI
InChI=1S/C8H9AsO6/c10-8(11)5-15-7-3-1-6(2-4-7)9(12,13)14/h1-4H,5H2,(H,10,11)(H2,12,13,14)
InChIKey
GGKYYLIYKGRMIH-UHFFFAOYSA-N
Compound name
2-(4-arsonophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.96152 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96880 152.0
[M+Na]+ 298.95074 158.7
[M-H]- 274.95424 151.4
[M+NH4]+ 293.99534 167.6
[M+K]+ 314.92468 157.0
[M+H-H2O]+ 258.95878 146.2
[M+HCOO]- 320.95972 170.4
[M+CH3COO]- 334.97537 179.2
[M+Na-2H]- 296.93619 156.7
[M]+ 275.96097 152.8
[M]- 275.96207 152.8
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.