CID 223338

4-hydroxy-m-toluenearsonic acid

Structural Information

Molecular Formula
C7H9AsO4
SMILES
CC1=C(C=CC(=C1)[As](=O)(O)O)O
InChI
InChI=1S/C7H9AsO4/c1-5-4-6(8(10,11)12)2-3-7(5)9/h2-4,9H,1H3,(H2,10,11,12)
InChIKey
IVHGLKHJMMTEMN-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-methylphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.97168 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97896 143.2
[M+Na]+ 254.96090 151.6
[M-H]- 230.96440 143.2
[M+NH4]+ 250.00550 161.3
[M+K]+ 270.93484 148.9
[M+H-H2O]+ 214.96894 138.3
[M+HCOO]- 276.96988 162.3
[M+CH3COO]- 290.98553 172.9
[M+Na-2H]- 252.94635 148.6
[M]+ 231.97113 142.5
[M]- 231.97223 142.5
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.