CID 459210

[4-(2-hydroxyethylamino)phenyl]arsonic acid

Structural Information

Molecular Formula
C8H12AsNO4
SMILES
C1=CC(=CC=C1NCCO)[As](=O)(O)O
InChI
InChI=1S/C8H12AsNO4/c11-6-5-10-8-3-1-7(2-4-8)9(12,13)14/h1-4,10-11H,5-6H2,(H2,12,13,14)
InChIKey
RAHSJPOVWSWCDP-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.99823 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00551 151.7
[M+Na]+ 283.98745 157.8
[M-H]- 259.99095 151.0
[M+NH4]+ 279.03205 167.9
[M+K]+ 299.96139 154.8
[M+H-H2O]+ 243.99549 145.8
[M+HCOO]- 305.99643 171.5
[M+CH3COO]- 320.01208 179.9
[M+Na-2H]- 281.97290 157.6
[M]+ 260.99768 150.1
[M]- 260.99878 150.1
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.