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]+ 275.98476 153.2
[M+Na]+ 297.96670 159.5
[M-H]- 273.97020 153.4
[M+NH4]+ 293.01130 169.0
[M+K]+ 313.94064 157.7
[M+H-H2O]+ 257.97474 146.9
[M+HCOO]- 319.97568 173.3
[M+CH3COO]- 333.99133 184.0
[M+Na-2H]- 295.95215 157.4
[M]+ 274.97693 152.5
[M]- 274.97803 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.