CID 459202

(3,4-dihydroxyphenyl)arsonic acid

Structural Information

Molecular Formula
C6H7AsO5
SMILES
C1=CC(=C(C=C1[As](=O)(O)O)O)O
InChI
InChI=1S/C6H7AsO5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3,8-9H,(H2,10,11,12)
InChIKey
JUPOKKHZJNNRNU-UHFFFAOYSA-N
Compound name
(3,4-dihydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.95094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95822 142.1
[M+Na]+ 256.94016 150.3
[M-H]- 232.94366 140.8
[M+NH4]+ 251.98476 159.3
[M+K]+ 272.91410 147.6
[M+H-H2O]+ 216.94820 137.3
[M+HCOO]- 278.94914 160.2
[M+CH3COO]- 292.96479 169.8
[M+Na-2H]- 254.92561 147.6
[M]+ 233.95039 140.5
[M]- 233.95149 140.5
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.