CID 223335

(2,4-dihydroxyphenyl)arsonic acid

Structural Information

Molecular Formula
C6H7AsO5
SMILES
C1=CC(=C(C=C1O)O)[As](=O)(O)O
InChI
InChI=1S/C6H7AsO5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3,8-9H,(H2,10,11,12)
InChIKey
IRNHKTKWGLKNNU-UHFFFAOYSA-N
Compound name
(2,4-dihydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.95094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.958216 142.1
[M+Na]+ 256.940158 150.3
[M-H]- 232.943664 140.8
[M+NH4]+ 251.984763 159.3
[M+K]+ 272.914098 147.6
[M+H-H2O]+ 216.948200 137.3
[M+HCOO]- 278.949141 160.2
[M+CH3COO]- 292.964791 169.8
[M+Na-2H]- 254.925606 147.6
[M]+ 233.95039142 140.5
[M]- 233.95148858 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

literature stripe

Patent stripe

patents stripe