CID 459207

(4-allophanoylphenyl)arsonic acid

Structural Information

Molecular Formula
C8H9AsN2O5
SMILES
C1=CC(=CC=C1C(=O)NC(=O)N)[As](=O)(O)O
InChI
InChI=1S/C8H9AsN2O5/c10-8(13)11-7(12)5-1-3-6(4-2-5)9(14,15)16/h1-4H,(H2,14,15,16)(H3,10,11,12,13)
InChIKey
YBNCGBZGNVFXCD-UHFFFAOYSA-N
Compound name
[4-(carbamoylcarbamoyl)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.97275 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98003 155.8
[M+Na]+ 310.96197 161.4
[M-H]- 286.96547 156.2
[M+NH4]+ 306.00657 170.7
[M+K]+ 326.93591 159.7
[M+H-H2O]+ 270.97001 149.3
[M+HCOO]- 332.97095 176.1
[M+CH3COO]- 346.98660 188.2
[M+Na-2H]- 308.94742 159.2
[M]+ 287.97220 152.8
[M]- 287.97330 152.8
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.