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

68
Patents

258.98257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98985 150.4
[M+Na]+ 281.97179 157.0
[M-H]- 257.97529 151.3
[M+NH4]+ 277.01639 167.4
[M+K]+ 297.94573 154.9
[M+H-H2O]+ 241.97983 144.5
[M+HCOO]- 303.98077 171.0
[M+CH3COO]- 317.99642 181.6
[M+Na-2H]- 279.95724 155.6
[M]+ 258.98202 149.3
[M]- 258.98312 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

literature stripe

Patent stripe

patents stripe