CID 80568

(4-methoxyphenyl)arsonic acid

Structural Information

Molecular Formula
C7H9AsO4
SMILES
COC1=CC=C(C=C1)[As](=O)(O)O
InChI
InChI=1S/C7H9AsO4/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3,(H2,9,10,11)
InChIKey
JNDUBNWTNMWLAR-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

231.97168 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97896 143.0
[M+Na]+ 254.96090 151.0
[M-H]- 230.96440 144.1
[M+NH4]+ 250.00550 161.6
[M+K]+ 270.93484 149.2
[M+H-H2O]+ 214.96894 137.7
[M+HCOO]- 276.96988 163.8
[M+CH3COO]- 290.98553 174.1
[M+Na-2H]- 252.94635 149.7
[M]+ 231.97113 143.8
[M]- 231.97223 143.8
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