CID 16555

3-amino-4-hydroxyphenylarsonic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

4
References

64
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

literature stripe

Patent stripe

patents stripe