CID 95019

Arsacetin

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

6
References

56
Patents

258.98257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98985 149.1
[M+Na]+ 281.97179 158.3
[M+NH4]+ 277.01639 154.6
[M+K]+ 297.94573 155.0
[M-H]- 257.97529 148.1
[M+Na-2H]- 279.95724 152.9
[M]+ 258.98202 149.7
[M]- 258.98312 149.7
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