CID 11453

Sodium hydrogen (4-(acetamido)phenyl)arsonate

Structural Information

Molecular Formula
C8H10AsNO4
SMILES
CC(=O)NC1=CC(=CC=C1)[As](=O)(O)O
InChI
InChI=1S/C8H10AsNO4/c1-6(11)10-8-4-2-3-7(5-8)9(12,13)14/h2-5H,1H3,(H,10,11)(H2,12,13,14)
InChIKey
IICSZHHHNLOXMG-UHFFFAOYSA-N
Compound name
(3-acetamidophenyl)arsonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

258.98257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.989846 150.4
[M+Na]+ 281.971788 157.0
[M-H]- 257.975294 151.3
[M+NH4]+ 277.016393 167.4
[M+K]+ 297.945728 154.9
[M+H-H2O]+ 241.979830 144.5
[M+HCOO]- 303.980771 171.0
[M+CH3COO]- 317.996421 181.6
[M+Na-2H]- 279.957236 155.6
[M]+ 258.98202142 149.3
[M]- 258.98311858 149.3
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.