CID 224264

2-(4-arsonoanilino)acetic acid

Structural Information

Molecular Formula
C8H10AsNO5
SMILES
C1=CC(=CC=C1NCC(=O)O)[As](=O)(O)O
InChI
InChI=1S/C8H10AsNO5/c11-8(12)5-10-7-3-1-6(2-4-7)9(13,14)15/h1-4,10H,5H2,(H,11,12)(H2,13,14,15)
InChIKey
XJHGBVCKYYNIPE-UHFFFAOYSA-N
Compound name
2-(4-arsonoanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

274.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.984756 153.1
[M+Na]+ 297.966698 159.0
[M-H]- 273.970204 152.5
[M+NH4]+ 293.011303 168.5
[M+K]+ 313.940638 156.7
[M+H-H2O]+ 257.974740 147.1
[M+HCOO]- 319.975681 172.3
[M+CH3COO]- 333.991331 182.2
[M+Na-2H]- 295.952146 157.9
[M]+ 274.97693142 151.6
[M]- 274.97802858 151.6
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