CID 74471

O-phenylenediarsonic acid

Structural Information

Molecular Formula
C6H8As2O6
SMILES
C1=CC=C(C(=C1)[As](=O)(O)O)[As](=O)(O)O
InChI
InChI=1S/C6H8As2O6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h1-4H,(H2,9,10,11)(H2,12,13,14)
InChIKey
FBDWZBKCZCVCNV-UHFFFAOYSA-N
Compound name
(2-arsonophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.87527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88255 159.8
[M+Na]+ 348.86449 166.6
[M-H]- 324.86799 157.6
[M+NH4]+ 343.90909 174.7
[M+K]+ 364.83843 163.9
[M+H-H2O]+ 308.87253 154.3
[M+HCOO]- 370.87347 175.6
[M+CH3COO]- 384.88912 175.7
[M+Na-2H]- 346.84994 165.5
[M]+ 325.87472 158.4
[M]- 325.87582 158.4
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

No patent data available for this compound.