CID 8480

Carbarsone

Structural Information

Molecular Formula
C7H9AsN2O4
SMILES
C1=CC(=CC=C1NC(=O)N)[As](=O)(O)O
InChI
InChI=1S/C7H9AsN2O4/c9-7(11)10-6-3-1-5(2-4-6)8(12,13)14/h1-4H,(H3,9,10,11)(H2,12,13,14)
InChIKey
WWXBHTZSYYGCSG-UHFFFAOYSA-N
Compound name
[4-(carbamoylamino)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

64
References

1272
Patents

259.9778 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.985076 149.7
[M+Na]+ 282.967018 155.8
[M-H]- 258.970524 150.1
[M+NH4]+ 278.011623 165.9
[M+K]+ 298.940958 153.6
[M+H-H2O]+ 242.975060 143.4
[M+HCOO]- 304.976001 170.9
[M+CH3COO]- 318.991651 183.4
[M+Na-2H]- 280.952466 154.7
[M]+ 259.97725142 146.4
[M]- 259.97834858 146.4
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