CID 459206

P-(carbamylmethoxy)benzenearsonic acid

Structural Information

Molecular Formula
C8H10AsNO5
SMILES
C1=CC(=CC=C1OCC(=O)N)[As](=O)(O)O
InChI
InChI=1S/C8H10AsNO5/c10-8(11)5-15-7-3-1-6(2-4-7)9(12,13)14/h1-4H,5H2,(H2,10,11)(H2,12,13,14)
InChIKey
ADHDAYJFPBCIFR-UHFFFAOYSA-N
Compound name
[4-(2-amino-2-oxoethoxy)phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.97748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.984756 153.2
[M+Na]+ 297.966698 159.5
[M-H]- 273.970204 153.4
[M+NH4]+ 293.011303 169.0
[M+K]+ 313.940638 157.7
[M+H-H2O]+ 257.974740 146.9
[M+HCOO]- 319.975681 173.3
[M+CH3COO]- 333.991331 184.0
[M+Na-2H]- 295.952146 157.4
[M]+ 274.97693142 152.5
[M]- 274.97802858 152.5
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.