CID 22773

P-arsanilic acid, 2-hydroxy-

Structural Information

Molecular Formula
C6H8AsNO4
SMILES
C1=CC(=C(C=C1N)O)[As](=O)(O)O
InChI
InChI=1S/C6H8AsNO4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3,9H,8H2,(H2,10,11,12)
InChIKey
AKYBBBJGFPEQLG-UHFFFAOYSA-N
Compound name
(4-amino-2-hydroxyphenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

232.96693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97421 143.1
[M+Na]+ 255.95615 151.0
[M-H]- 231.95965 142.6
[M+NH4]+ 251.00075 160.5
[M+K]+ 271.93009 148.2
[M+H-H2O]+ 215.96419 137.8
[M+HCOO]- 277.96513 162.9
[M+CH3COO]- 291.98078 174.5
[M+Na-2H]- 253.94160 148.2
[M]+ 232.96638 140.2
[M]- 232.96748 140.2
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

patents stripe